data_2ms3_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 2ms3 _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 ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 109.602 -0.961 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.501 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.415 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.449 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.486 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.426 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 4' ' ' MET . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.513 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.551 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.451 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.533 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.2 t30 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.448 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 25.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 54' ' ' SER . 57.8 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.487 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.48 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.525 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 6.4 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.594 -0.964 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.709 ' CE ' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.743 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.436 ' CG ' ' HE2' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.709 ' CE3' ' CE ' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.743 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.535 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' A' ' 49' ' ' PHE . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 3' ' ' ARG . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.471 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 68.0 Cg_endo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.478 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.493 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.471 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG1' ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.67 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.507 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.439 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.432 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.538 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.444 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 ' CG1' ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.489 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.433 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 30' ' ' TRP . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.574 -0.972 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.501 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HD2' ' NZ ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.517 ' NZ ' ' HD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.517 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.608 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' PHE . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' SER . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' SER . 56.7 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.527 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' N ' ' HB2' ' A' ' 54' ' ' SER . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.442 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.538 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.509 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 85.0 Cg_endo . . . . . 0 N--CA 1.447 -1.209 0 N-CA-C 109.57 -0.973 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.563 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.442 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.801 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.407 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' GLY . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.48 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.801 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 6' ' ' CYS . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.618 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' CB ' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 54' ' ' SER . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo . . . . . 0 N--CA 1.448 -1.205 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.521 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.48 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' GLY . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.621 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.8 t30 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 54' ' ' SER . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.529 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.447 -1.218 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.606 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' C ' ' A' ' 49' ' ' PHE . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' ARG . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.499 ' CD ' ' O ' ' A' ' 54' ' ' SER . 60.6 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 N-CA-C 109.611 -0.957 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.486 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.525 ' O ' ' CE ' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.525 ' CE ' ' O ' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CD1' ' OE1' ' A' ' 22' ' ' GLN . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.518 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.521 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.1 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.488 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 37' ' ' PHE . 1.3 t30 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.581 ' N ' HD21 ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.52 ' CD ' ' O ' ' A' ' 54' ' ' SER . 74.1 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.591 -0.965 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.519 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.489 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.517 ' C ' ' O ' ' A' ' 36' ' ' ASN . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 49' ' ' PHE . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.511 ' CD ' ' O ' ' A' ' 54' ' ' SER . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.556 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.577 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' HB2' ' A' ' 54' ' ' SER . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG ' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' ' C ' ' A' ' 49' ' ' PHE . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' A' ' 48' ' ' VAL . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.556 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo . . . . . 0 N--CA 1.448 -1.206 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 1.3 mt-30 -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' CG ' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE3' ' CG ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.521 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.623 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.567 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 2' ' ' PRO . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 53' ' ' ALA . 46.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.514 ' O ' ' CG ' ' A' ' 15' ' ' PRO . 91.7 Cg_endo . . . . . 0 N--CA 1.447 -1.243 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.66 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.538 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.521 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.66 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 43' ' ' SER . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.555 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' GLU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' C ' ' HB2' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.44 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 2.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' PRO . 60.0 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 N-CA-C 109.566 -0.975 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.621 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.41 HG12 ' CG ' ' A' ' 5' ' ' GLN . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.538 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.522 ' O ' ' CE ' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.7 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 39' ' ' CYS . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.753 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' VAL . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.521 ' CD ' ' O ' ' A' ' 54' ' ' SER . 70.5 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.481 ' CG ' HG12 ' A' ' 12' ' ' ILE . 7.2 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.485 ' CB ' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.485 ' CE ' ' CB ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.536 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.536 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.489 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 97.8 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 N-CA-C 109.593 -0.964 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.636 ' HE2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' CB ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.455 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CE3' ' HE2' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 42' ' ' CYS . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CB ' ' HB2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.435 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo -81.4 170.87 14.23 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.286 3.324 . . . . 0.0 109.602 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.501 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.415 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.449 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.47 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.51 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.567 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.578 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.486 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.578 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.426 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 4' ' ' MET . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t 64.56 127.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.4 135.15 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.33 -179.87 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.513 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo -94.29 156.67 2.08 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.386 3.391 . . . . 0.0 109.622 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.551 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.451 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.451 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.533 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.2 t30 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.464 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.448 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 25.3 t 53.19 -96.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -148.7 162.53 39.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.91 178.81 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.501 ' CD ' ' O ' ' A' ' 54' ' ' SER . 57.8 Cg_endo -88.32 136.54 3.41 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.348 3.365 . . . . 0.0 109.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.422 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.487 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.507 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.448 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.507 ' CD1' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.417 ' HA2' ' CD2' ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.507 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.48 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t 69.55 129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -44.24 159.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.15 178.98 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.486 ' N ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.525 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 6.4 Cg_endo -88.52 171.29 5.26 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.344 3.362 . . . . 0.0 109.594 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.709 ' CE ' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.427 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.743 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.525 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.436 ' CG ' ' HE2' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' GLY . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.709 ' CE3' ' CE ' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.743 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.487 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.535 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.552 ' O ' ' C ' ' A' ' 49' ' ' PHE . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 3' ' ' ARG . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t 40.25 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -42.68 136.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.99 -60.85 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' N ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.471 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 68.0 Cg_endo -93.26 165.4 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 0.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.478 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.493 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.409 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.471 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.474 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.474 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG1' ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.559 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.544 HD21 ' CD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.67 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.537 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.537 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.544 ' CD1' HD21 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.507 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.439 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t 61.57 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.79 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.35 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo -73.97 178.19 7.19 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.277 3.318 . . . . 0.0 109.607 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.538 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.444 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.55 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.593 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 ' CG1' ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.489 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.433 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.593 ' HD3' ' CZ2' ' A' ' 30' ' ' TRP . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB2' ' CG ' ' A' ' 15' ' ' PRO . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.442 ' HG ' ' N ' ' A' ' 55' ' ' GLU . 29.3 t 39.66 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' N ' ' HG ' ' A' ' 54' ' ' SER . 0.4 OUTLIER 35.74 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.92 175.88 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo -83.86 159.2 13.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.322 3.348 . . . . 0.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.501 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.464 HE21 ' N ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.417 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HD2' ' NZ ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' NZ ' ' HD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' PRO . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.517 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.517 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.608 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.494 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.717 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.608 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' O ' ' C ' ' A' ' 49' ' ' PHE . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 54' ' ' SER . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t 61.38 129.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -27.72 13.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.07 -61.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.7 tttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.498 ' CD ' ' O ' ' A' ' 54' ' ' SER . 56.7 Cg_endo -92.05 165.17 3.16 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.355 3.37 . . . . 0.0 109.61 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.527 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.416 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' N ' ' HB2' ' A' ' 54' ' ' SER . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.579 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.442 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.538 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.554 ' N ' ' O ' ' A' ' 42' ' ' CYS . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.579 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.53 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t 65.87 130.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -57.26 146.83 27.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.94 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.509 ' CB ' ' CD2' ' A' ' 52' ' ' LEU . 85.0 Cg_endo -92.53 166.0 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.297 3.331 . . . . 0.0 109.57 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.563 ' HE3' ' CG ' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.442 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.801 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.407 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' GLY . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.455 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.48 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.801 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.495 ' CD1' ' SG ' ' A' ' 6' ' ' CYS . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.618 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.509 ' CD2' ' CB ' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' O ' ' O ' ' A' ' 54' ' ' SER . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 1.9 t 38.71 95.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 54' ' ' SER . 21.7 mt-10 -162.26 174.56 12.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.26 53.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo -93.73 161.3 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.266 3.311 . . . . 0.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.521 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.419 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.48 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.48 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 27' ' ' GLY . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.48 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.621 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.8 t30 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HB ' ' CD2' ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 54' ' ' SER . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t 80.84 -176.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 2.6 tm-20 86.14 -54.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 55.5 -170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.529 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo -72.79 134.59 22.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.315 3.343 . . . . 0.0 109.567 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.606 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.456 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.463 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.484 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.606 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' C ' ' CD2' ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 44' ' ' LEU . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.542 ' CB ' ' O ' ' A' ' 43' ' ' SER . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.571 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.545 ' O ' ' C ' ' A' ' 49' ' ' PHE . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 3' ' ' ARG . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t 55.47 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.466 ' HA ' ' CG ' ' A' ' 2' ' ' PRO . 1.3 tt0 -50.49 117.14 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.28 -56.76 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.499 ' CD ' ' O ' ' A' ' 54' ' ' SER . 60.6 Cg_endo -91.9 142.95 2.72 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.347 3.365 . . . . 0.0 109.611 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.486 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.433 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.525 ' O ' ' CE ' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.525 ' CE ' ' O ' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.608 ' CD1' ' OE1' ' A' ' 22' ' ' GLN . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 39' ' ' CYS . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.515 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.761 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.518 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.467 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t 69.65 131.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -43.2 -60.12 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.9 53.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo -73.41 177.56 7.77 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.295 3.33 . . . . 0.0 109.622 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.521 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.1 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.482 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.467 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.477 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.581 HD21 ' N ' ' A' ' 37' ' ' PHE . 1.3 t30 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.581 ' N ' HD21 ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HB ' ' CD1' ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.448 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t 65.58 132.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.04 129.46 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.52 ' CD ' ' O ' ' A' ' 54' ' ' SER . 74.1 Cg_endo -92.37 162.23 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.256 3.304 . . . . 0.0 109.591 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.519 ' HE2' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.458 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.585 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.535 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.535 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.489 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.517 ' C ' ' O ' ' A' ' 36' ' ' ASN . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.522 ' N ' ' O ' ' A' ' 42' ' ' CYS . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.51 ' O ' ' C ' ' A' ' 49' ' ' PHE . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.465 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t 74.9 127.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.57 159.4 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.66 177.4 9.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.511 ' CD ' ' O ' ' A' ' 54' ' ' SER . 74.2 Cg_endo -93.45 165.67 2.34 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.323 3.348 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.556 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.437 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.406 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.577 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.475 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.475 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' HB2' ' A' ' 54' ' ' SER . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' CG ' ' HG3' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.582 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.474 ' HG3' ' CG ' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.577 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.415 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.681 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 43' ' ' SER . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.582 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 ' O ' ' C ' ' A' ' 49' ' ' PHE . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' A' ' 48' ' ' VAL . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.556 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t 66.91 125.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.33 94.02 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.45 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo -93.3 158.74 2.53 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.29 3.327 . . . . 0.0 109.61 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.623 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 1.3 mt-30 -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.459 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' CG ' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.475 ' HE3' ' CG ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.521 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.521 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.623 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.491 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.504 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.598 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.567 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.567 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.518 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.516 ' CB ' ' HB2' ' A' ' 2' ' ' PRO . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 53' ' ' ALA . 46.8 p 53.38 -97.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 78.76 110.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.55 -176.02 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.423 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.514 ' O ' ' CG ' ' A' ' 15' ' ' PRO . 91.7 Cg_endo -94.17 132.55 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.66 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.469 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.538 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.538 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.521 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.521 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.66 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.537 ' O ' ' HA ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.587 ' CB ' ' O ' ' A' ' 43' ' ' SER . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.555 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.555 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 50' ' ' GLU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' C ' ' HB2' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.44 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 2.3 t 60.22 112.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' HG3' ' N ' ' A' ' 1' ' ' GLY . 27.2 tt0 -71.33 124.86 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.27 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.538 ' O ' ' CG ' ' A' ' 15' ' ' PRO . 60.0 Cg_endo -93.44 151.97 2.43 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.254 3.303 . . . . 0.0 109.566 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.621 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.407 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.407 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.606 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.41 HG12 ' CG ' ' A' ' 5' ' ' GLN . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.538 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.522 ' O ' ' CE ' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.522 ' CE ' ' O ' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.7 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.506 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.621 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 39' ' ' CYS . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.753 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.431 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' C ' ' O ' ' A' ' 48' ' ' VAL . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t 61.16 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 114.33 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.12 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.521 ' CD ' ' O ' ' A' ' 54' ' ' SER . 70.5 Cg_endo -93.99 140.82 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.319 3.346 . . . . 0.0 109.563 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.481 ' CG ' HG12 ' A' ' 12' ' ' ILE . 7.2 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.431 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.485 ' CB ' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.485 ' CE ' ' CB ' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.536 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.536 ' HD2' ' CB ' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.488 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.521 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.492 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.511 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t 65.9 127.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.81 127.25 33.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.16 -179.89 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 97.8 Cg_endo -89.6 146.72 4.97 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.636 ' HE2' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' CB ' HD13 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.455 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.43 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.408 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' O ' ' OG1' ' A' ' 28' ' ' THR . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.489 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' HD2' ' CG2' ' A' ' 28' ' ' THR . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.636 ' CE3' ' HE2' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.464 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.708 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.56 ' N ' ' O ' ' A' ' 42' ' ' CYS . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.508 HG12 ' CD1' ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' CB ' ' HB2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' GLU . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 65.94 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER 86.8 101.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -166.0 -172.02 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 109.602 -0.961 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.514 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 2.4 pt20 -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' MET . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 29' ' ' PRO . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.822 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.822 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.99 ' O ' HD23 ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' HB ' HD21 ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.889 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.776 ' C ' HD12 ' A' ' 52' ' ' LEU . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 51' ' ' GLU . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.707 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.534 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 1.5 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.717 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.6 t-20 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 8' ' ' VAL . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 25.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.693 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 57.8 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.453 ' C ' HG23 ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 7' ' ' SER . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' GLY . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.488 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.82 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.82 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.923 ' O ' HD23 ' A' ' 38' ' ' LEU . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.63 HD11 ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.678 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.853 ' CB ' HD22 ' A' ' 52' ' ' LEU . 6.4 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.594 -0.964 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.751 ' HE3' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.685 ' SG ' HD22 ' A' ' 44' ' ' LEU . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HG23 ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.827 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.69 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 32' ' ' GLU . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.751 ' CE3' ' HE3' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.546 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.685 HD22 ' SG ' ' A' ' 6' ' ' CYS . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' HD21 ' A' ' 44' ' ' LEU . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.853 HD22 ' CB ' ' A' ' 2' ' ' PRO . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.48 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 68.0 Cg_endo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.492 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.5 mp0 -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 7' ' ' SER . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.492 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.623 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.623 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' GLN . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 20' ' ' PRO . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' HA ' ' HZ2' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.051 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.051 HD23 ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 ' HD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.905 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' HD1' HD23 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.91 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.67 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.819 HG12 ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.05 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.05 HD23 ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD21 ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.819 ' HE2' HG12 ' A' ' 33' ' ' VAL . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 29.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.574 -0.972 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 4.4 pm0 -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.907 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.607 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.764 HG12 ' HE2' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD23 ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.661 ' HB ' HD21 ' A' ' 44' ' ' LEU . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.907 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.644 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 56.7 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.574 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 HD11 ' A' ' 44' ' ' LEU . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.992 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' OE1' ' A' ' 32' ' ' GLU . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' OE1' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' HB ' ' A' ' 48' ' ' VAL . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.752 ' HB ' HD22 ' A' ' 44' ' ' LEU . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.992 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.746 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 85.0 Cg_endo . . . . . 0 N--CA 1.447 -1.209 0 N-CA-C 109.57 -0.973 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.708 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' HG23 ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.517 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.785 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.708 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.567 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 8' ' ' VAL . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.618 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.746 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo . . . . . 0 N--CA 1.448 -1.205 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.52 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 1.3 pt20 -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' MET . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.57 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.864 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.864 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 t-20 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.902 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.754 ' HB ' HD21 ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.447 -1.218 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.725 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' MET . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.684 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' GLU . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.725 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.924 ' C ' HD22 ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.924 HD22 ' C ' ' A' ' 37' ' ' PHE . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 48' ' ' VAL . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.818 ' HB ' HD21 ' A' ' 44' ' ' LEU . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 52' ' ' LEU . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.6 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 N-CA-C 109.611 -0.957 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.485 ' CG ' HG12 ' A' ' 12' ' ' ILE . 3.0 mt-30 -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.681 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.761 ' HG2' ' HB2' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.772 ' O ' HD23 ' A' ' 38' ' ' LEU . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.66 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.549 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 2.8 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.625 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.794 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.794 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t-20 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.975 HD13 ' HB ' ' A' ' 48' ' ' VAL . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.975 ' HB ' HD13 ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.677 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 74.1 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.591 -0.965 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 3.1 mp0 -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HG ' ' N ' ' A' ' 10' ' ' GLN . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' N ' ' HG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.818 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.818 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 38' ' ' LEU . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 44' ' ' LEU . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.758 ' HB ' HD21 ' A' ' 44' ' ' LEU . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.677 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HB3' HD12 ' A' ' 52' ' ' LEU . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.685 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 4.3 pm0 -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 22' ' ' GLN . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.808 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.738 ' HG2' ' CG ' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.685 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.738 ' CG ' ' HG2' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.989 ' O ' HD23 ' A' ' 38' ' ' LEU . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HD1' HD23 ' A' ' 44' ' ' LEU . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.569 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.689 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo . . . . . 0 N--CA 1.448 -1.206 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.737 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 0.4 OUTLIER -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.528 ' HG ' ' N ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.528 ' N ' ' HG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.653 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.653 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.812 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.737 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.812 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.994 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.811 HD21 ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.596 ' HD1' HD22 ' A' ' 44' ' ' LEU . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.7 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 91.7 Cg_endo . . . . . 0 N--CA 1.447 -1.243 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.816 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.905 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.905 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.527 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.816 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.78 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 49' ' ' PHE . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.832 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 44' ' ' LEU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.7 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.663 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.0 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 N-CA-C 109.566 -0.975 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 2.8 mp0 -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.427 ' C ' HG23 ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 7' ' ' SER . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' MET . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.686 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.4 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.725 ' O ' HD23 ' A' ' 38' ' ' LEU . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.753 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.663 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.753 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.5 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.482 ' CG ' HG12 ' A' ' 12' ' ' ILE . 5.8 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.503 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.764 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.764 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HZ2' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.928 ' CB ' HD23 ' A' ' 52' ' ' LEU . 97.8 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 N-CA-C 109.593 -0.964 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.838 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' CB ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.465 ' C ' HG23 ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 7' ' ' SER . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.429 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.836 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.635 ' CD2' ' CE ' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.836 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 44' ' ' LEU . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.728 HD22 ' CB ' ' A' ' 48' ' ' VAL . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.728 ' CB ' HD22 ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.928 HD23 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.838 ' HB2' ' SD ' ' A' ' 4' ' ' MET . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo -81.4 170.87 14.23 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.286 3.324 . . . . 0.0 109.602 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.514 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 2.4 pt20 -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' MET . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 29' ' ' PRO . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.822 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.822 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.99 ' O ' HD23 ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' HB ' HD21 ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.889 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.776 ' C ' HD12 ' A' ' 52' ' ' LEU . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 51' ' ' GLU . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t 64.56 127.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.4 135.15 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.33 -179.87 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.707 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo -94.29 156.67 2.08 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.386 3.391 . . . . 0.0 109.622 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.534 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 1.5 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.717 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 2.6 t-20 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 8' ' ' VAL . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 25.3 t 53.19 -96.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -148.7 162.53 39.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.91 178.81 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.693 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 57.8 Cg_endo -88.32 136.54 3.41 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.348 3.365 . . . . 0.0 109.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.453 ' C ' HG23 ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 7' ' ' SER . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' GLY . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.488 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.82 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.82 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.923 ' O ' HD23 ' A' ' 38' ' ' LEU . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.699 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.63 HD11 ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.678 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t 69.55 129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -44.24 159.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.15 178.98 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' H3 ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.853 ' CB ' HD22 ' A' ' 52' ' ' LEU . 6.4 Cg_endo -88.52 171.29 5.26 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.344 3.362 . . . . 0.0 109.594 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.751 ' HE3' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.2 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.685 ' SG ' HD22 ' A' ' 44' ' ' LEU . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HG23 ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.827 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.69 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 32' ' ' GLU . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.751 ' CE3' ' HE3' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.546 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.7 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.685 HD22 ' SG ' ' A' ' 6' ' ' CYS . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' HD21 ' A' ' 44' ' ' LEU . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.853 HD22 ' CB ' ' A' ' 2' ' ' PRO . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t 40.25 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -42.68 136.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.99 -60.85 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 68.0 Cg_endo -93.26 165.4 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 0.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.5 mp0 -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 7' ' ' SER . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.623 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' GLN . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 20' ' ' PRO . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' HA ' ' HZ2' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.051 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.051 HD23 ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 ' HD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.905 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' HD1' HD23 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.91 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t 61.57 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.79 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.35 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo -73.97 178.19 7.19 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.277 3.318 . . . . 0.0 109.607 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.666 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.67 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.819 HG12 ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.05 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.05 HD23 ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.433 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.736 HD21 ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.819 ' HE2' HG12 ' A' ' 33' ' ' VAL . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 29.3 t 39.66 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER 35.74 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.92 175.88 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo -83.86 159.2 13.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.322 3.348 . . . . 0.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.443 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 4.4 pm0 -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.907 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.529 ' HG3' ' C ' ' A' ' 57' ' ' LYS . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.607 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.764 HG12 ' HE2' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD23 ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.661 ' HB ' HD21 ' A' ' 44' ' ' LEU . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.907 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t 61.38 129.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -27.72 13.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.07 -61.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.529 ' C ' ' HG3' ' A' ' 29' ' ' PRO . 8.7 tttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.644 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 56.7 Cg_endo -92.05 165.17 3.16 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.355 3.37 . . . . 0.0 109.61 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.574 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 HD11 ' A' ' 44' ' ' LEU . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.992 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' OE1' ' A' ' 32' ' ' GLU . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' OE1' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' HB ' ' A' ' 48' ' ' VAL . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.752 ' HB ' HD22 ' A' ' 44' ' ' LEU . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.992 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t 65.87 130.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -57.26 146.83 27.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.94 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.746 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 85.0 Cg_endo -92.53 166.0 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.297 3.331 . . . . 0.0 109.57 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.708 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' HG23 ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.517 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.785 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.708 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.567 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.6 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 8' ' ' VAL . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.618 ' O ' ' CG ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.746 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 1.9 t 38.71 95.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.684 ' HB2' ' HG3' ' A' ' 2' ' ' PRO . 21.7 mt-10 -162.26 174.56 12.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.26 53.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo -93.73 161.3 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.266 3.311 . . . . 0.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.52 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 5' ' ' GLN . 1.3 pt20 -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' MET . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.57 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.864 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.864 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 6.3 t-20 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.902 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.754 ' HB ' HD21 ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t 80.84 -176.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 2.6 tm-20 86.14 -54.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 55.5 -170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo -72.79 134.59 22.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.315 3.343 . . . . 0.0 109.567 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.725 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' MET . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.684 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' GLU . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.725 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.924 ' C ' HD22 ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.924 HD22 ' C ' ' A' ' 37' ' ' PHE . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 48' ' ' VAL . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.818 ' HB ' HD21 ' A' ' 44' ' ' LEU . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 52' ' ' LEU . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t 55.47 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 2' ' ' PRO . 1.3 tt0 -50.49 117.14 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.28 -56.76 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.6 Cg_endo -91.9 142.95 2.72 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.347 3.365 . . . . 0.0 109.611 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.485 ' CG ' HG12 ' A' ' 12' ' ' ILE . 3.0 mt-30 -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.681 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.761 ' HG2' ' HB2' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.772 ' O ' HD23 ' A' ' 38' ' ' LEU . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' CG ' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.66 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t 69.65 131.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -43.2 -60.12 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.9 53.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo -73.41 177.56 7.77 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.295 3.33 . . . . 0.0 109.622 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.549 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 2.8 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.625 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.794 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.794 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t-20 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.531 ' C ' ' O ' ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.975 HD13 ' HB ' ' A' ' 48' ' ' VAL . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.975 ' HB ' HD13 ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t 65.58 132.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.04 129.46 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.677 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 74.1 Cg_endo -92.37 162.23 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.256 3.304 . . . . 0.0 109.591 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 3.1 mp0 -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.818 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.818 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.55 ' ND2' ' O ' ' A' ' 35' ' ' ASP . 0.7 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 38' ' ' LEU . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 44' ' ' LEU . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.758 ' HB ' HD21 ' A' ' 44' ' ' LEU . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.677 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t 74.9 127.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.57 159.4 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.66 177.4 9.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' H1 ' ' HA ' ' A' ' 55' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HB3' HD12 ' A' ' 52' ' ' LEU . 74.2 Cg_endo -93.45 165.67 2.34 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.323 3.348 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.685 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 4.3 pm0 -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 22' ' ' GLN . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.808 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.738 ' HG2' ' CG ' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.685 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.738 ' CG ' ' HG2' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.989 ' O ' HD23 ' A' ' 38' ' ' LEU . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HD1' HD23 ' A' ' 44' ' ' LEU . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.569 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.689 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t 66.91 125.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' HA ' ' H1 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -77.33 94.02 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.45 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo -93.3 158.74 2.53 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.29 3.327 . . . . 0.0 109.61 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.737 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 0.4 OUTLIER -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.653 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.653 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.812 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.737 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.812 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.994 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.811 HD21 ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.596 ' HD1' HD22 ' A' ' 44' ' ' LEU . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 53' ' ' ALA . 46.8 p 53.38 -97.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 78.76 110.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.55 -176.02 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.7 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 91.7 Cg_endo -94.17 132.55 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.816 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' O ' ' CD2' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.905 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.905 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.527 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.816 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.78 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 49' ' ' PHE . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.832 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 44' ' ' LEU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.7 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t 60.22 112.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 1' ' ' GLY . 27.2 tt0 -71.33 124.86 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.27 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.663 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.0 Cg_endo -93.44 151.97 2.43 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.254 3.303 . . . . 0.0 109.566 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 2.8 mp0 -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.427 ' C ' HG23 ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 7' ' ' SER . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' MET . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.686 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.4 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.725 ' O ' HD23 ' A' ' 38' ' ' LEU . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.753 ' SG ' ' O ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.663 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t 61.16 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 114.33 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.12 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.753 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.5 Cg_endo -93.99 140.82 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.319 3.346 . . . . 0.0 109.563 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' CG ' HG12 ' A' ' 12' ' ' ILE . 5.8 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.503 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.764 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.764 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HZ2' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t 65.9 127.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.81 127.25 33.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.16 -179.89 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.928 ' CB ' HD23 ' A' ' 52' ' ' LEU . 97.8 Cg_endo -89.6 146.72 4.97 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.838 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' CB ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.465 ' C ' HG23 ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 7' ' ' SER . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.836 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.635 ' CD2' ' CE ' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.836 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 44' ' ' LEU . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.728 HD22 ' CB ' ' A' ' 48' ' ' VAL . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.728 ' CB ' HD22 ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.928 HD23 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.838 ' HB2' ' SD ' ' A' ' 4' ' ' MET . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 65.94 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER 86.8 101.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -166.0 -172.02 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo . . . . . 0 N--CA 1.448 -1.186 0 N-CA-C 109.602 -0.961 . . . . 0.0 109.602 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.514 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' MET . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 29' ' ' PRO . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.822 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.822 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.99 ' O ' HD23 ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.727 ' HB ' HD21 ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.889 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.776 ' C ' HD12 ' A' ' 52' ' ' LEU . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 51' ' ' GLU . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.707 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.534 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.717 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.2 t30 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 8' ' ' VAL . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.519 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.707 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 25.3 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.693 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 57.8 Cg_endo . . . . . 0 N--CA 1.447 -1.253 0 N-CA-C 109.631 -0.95 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.453 ' C ' HG23 ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 7' ' ' SER . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' GLY . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.488 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.82 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.82 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.923 ' O ' HD23 ' A' ' 38' ' ' LEU . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.699 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.63 HD11 ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.678 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.518 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.693 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.853 ' CB ' HD22 ' A' ' 52' ' ' LEU . 6.4 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.594 -0.964 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.751 ' HE3' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.685 ' SG ' HD22 ' A' ' 44' ' ' LEU . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HG23 ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.827 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.69 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 32' ' ' GLU . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.751 ' CE3' ' HE3' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.685 HD22 ' SG ' ' A' ' 6' ' ' CYS . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' HD21 ' A' ' 44' ' ' LEU . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.853 HD22 ' CB ' ' A' ' 2' ' ' PRO . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.48 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 68.0 Cg_endo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.492 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 7' ' ' SER . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.492 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.623 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.623 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' GLN . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 20' ' ' PRO . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' HA ' ' HZ2' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.051 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.051 HD23 ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 ' HD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.905 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' HD1' HD23 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.91 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo . . . . . 0 N--CA 1.447 -1.229 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.666 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.67 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.819 HG12 ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.05 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.05 HD23 ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.418 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.736 HD21 ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.819 ' HE2' HG12 ' A' ' 33' ' ' VAL . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 29.3 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.574 -0.972 . . . . 0.0 109.574 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.482 ' N ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.907 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.607 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.764 HG12 ' HE2' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 1.039 HD23 ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.661 ' HB ' HD21 ' A' ' 44' ' ' LEU . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.907 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.644 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 56.7 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.574 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 HD11 ' A' ' 44' ' ' LEU . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.992 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' OE1' ' A' ' 32' ' ' GLU . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.504 ' OE1' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.538 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' HB ' ' A' ' 48' ' ' VAL . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.752 ' HB ' HD22 ' A' ' 44' ' ' LEU . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.992 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.746 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 85.0 Cg_endo . . . . . 0 N--CA 1.447 -1.209 0 N-CA-C 109.57 -0.973 . . . . 0.0 109.57 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.708 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' HG23 ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.517 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.785 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.708 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 8' ' ' VAL . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.618 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.746 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.481 ' O ' ' O ' ' A' ' 53' ' ' ALA . 1.9 t . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo . . . . . 0 N--CA 1.448 -1.205 0 N-CA-C 109.592 -0.965 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.52 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' MET . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.57 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.864 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.864 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 3.8 t30 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.902 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.754 ' HB ' HD21 ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo . . . . . 0 N--CA 1.447 -1.218 0 N-CA-C 109.567 -0.974 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.725 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' MET . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.684 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' GLU . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.725 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.924 ' C ' HD22 ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.924 HD22 ' C ' ' A' ' 37' ' ' PHE . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 48' ' ' VAL . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.818 ' HB ' HD21 ' A' ' 44' ' ' LEU . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 52' ' ' LEU . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.6 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 N-CA-C 109.611 -0.957 . . . . 0.0 109.611 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.485 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.681 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.761 ' HG2' ' HB2' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.772 ' O ' HD23 ' A' ' 38' ' ' LEU . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.66 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo . . . . . 0 N--CA 1.448 -1.202 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.549 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.1 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.625 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.794 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.794 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 37' ' ' PHE . 1.3 t30 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.594 ' N ' HD22 ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.975 HD13 ' HB ' ' A' ' 48' ' ' VAL . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.975 ' HB ' HD13 ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.677 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 74.1 Cg_endo . . . . . 0 N--CA 1.447 -1.25 0 N-CA-C 109.591 -0.965 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.595 ' HG ' ' N ' ' A' ' 10' ' ' GLN . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.595 ' N ' ' HG ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.818 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.818 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 38' ' ' LEU . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 44' ' ' LEU . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.758 ' HB ' HD21 ' A' ' 44' ' ' LEU . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.677 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HB3' HD12 ' A' ' 52' ' ' LEU . 74.2 Cg_endo . . . . . 0 N--CA 1.447 -1.222 0 N-CA-C 109.607 -0.959 . . . . 0.0 109.607 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.685 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 22' ' ' GLN . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.808 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.738 ' HG2' ' CG ' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.685 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.738 ' CG ' ' HG2' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.989 ' O ' HD23 ' A' ' 38' ' ' LEU . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HD1' HD23 ' A' ' 44' ' ' LEU . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.569 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.689 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo . . . . . 0 N--CA 1.448 -1.206 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.737 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 1.3 mt-30 -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.528 ' HG ' ' N ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.528 ' N ' ' HG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.653 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.653 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.812 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.737 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.812 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.994 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.811 HD21 ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.655 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.596 ' HD1' HD22 ' A' ' 44' ' ' LEU . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.8 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.7 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 91.7 Cg_endo . . . . . 0 N--CA 1.447 -1.243 0 N-CA-C 109.61 -0.958 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.816 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.626 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.905 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.905 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.527 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.816 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.78 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 49' ' ' PHE . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.832 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 44' ' ' LEU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.7 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.663 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.0 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 N-CA-C 109.566 -0.975 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.406 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.427 ' C ' HG23 ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 7' ' ' SER . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' MET . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.686 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.7 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.725 ' O ' HD23 ' A' ' 38' ' ' LEU . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.753 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.663 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.753 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.5 Cg_endo . . . . . 0 N--CA 1.447 -1.214 0 N-CA-C 109.563 -0.976 . . . . 0.0 109.563 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.482 ' CG ' HG12 ' A' ' 12' ' ' ILE . 7.2 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.503 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.764 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.764 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HZ2' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.928 ' CB ' HD23 ' A' ' 52' ' ' LEU . 97.8 Cg_endo . . . . . 0 N--CA 1.447 -1.232 0 N-CA-C 109.593 -0.964 . . . . 0.0 109.593 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.838 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.482 ' CB ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.465 ' C ' HG23 ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 7' ' ' SER . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.429 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.836 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.635 ' CD2' ' CE ' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.836 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 44' ' ' LEU . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.728 HD22 ' CB ' ' A' ' 48' ' ' VAL . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.728 ' CB ' HD22 ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.928 HD23 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.838 ' HB2' ' SD ' ' A' ' 4' ' ' MET . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.523 ' O ' ' CD ' ' A' ' 15' ' ' PRO . 4.4 Cg_exo -81.4 170.87 14.23 Favored 'Trans proline' 0 N--CA 1.448 -1.186 0 C-N-CA 124.286 3.324 . . . . 0.0 109.602 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.439 ' CD ' ' N ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.69 139.36 23.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.457 1.098 . . . . 0.0 110.304 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.514 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 4.0 mtp -105.55 -177.65 3.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.485 ' HA ' ' O ' ' A' ' 11' ' ' TRP . 0.0 OUTLIER -166.12 147.29 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.14 128.54 43.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 108.347 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 85.8 p -82.53 48.71 1.34 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.046 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.2 t -137.39 -57.35 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.4 p -105.26 -32.37 8.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 108.27 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 88.08 60.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.283 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 68.0 t90 -112.46 119.53 38.53 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 4' ' ' MET . 3.4 mt -83.42 136.65 22.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.409 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 30.7 t80 -107.7 97.4 7.13 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.992 -1.004 . . . . 0.0 109.83 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 59.1 m-20 -95.75 111.88 57.3 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.523 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.1 Cg_exo -53.75 -18.83 13.14 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.308 3.339 . . . . 0.0 109.576 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -79.55 -10.08 59.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.305 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.8 mtpt -127.43 -52.68 1.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 42.97 -164.84 0.02 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 22' ' ' GLN . 15.9 mm-40 -124.52 59.75 21.8 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.056 0.932 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 5.0 Cg_endo -45.86 -22.25 1.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.387 3.391 . . . . 0.0 109.573 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.427 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.24 24.36 3.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.517 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 2.8 tt0 -140.08 17.43 2.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 83.49 18.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.414 ' O ' ' N ' ' A' ' 20' ' ' PRO . 12.6 t -139.29 98.26 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.21 154.15 63.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -48.28 159.73 0.68 Allowed 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.313 3.342 . . . . 0.0 109.571 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.02 53.27 45.81 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.56 1.162 . . . . 0.0 111.015 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 HG23 ' HD2' ' A' ' 29' ' ' PRO . 7.6 m -123.59 136.95 27.83 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.054 0.931 . . . . 0.0 110.357 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.822 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 58.8 Cg_endo -70.93 124.05 10.26 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.291 3.327 . . . . 0.0 109.595 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 64.9 t-105 -48.4 -29.48 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 108.02 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -64.29 -46.33 84.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.822 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 10.6 tp10 -65.02 -35.79 82.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.434 1.084 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.46 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 79.6 t -48.86 108.72 1.0 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' C ' ' N ' ' A' ' 36' ' ' ASN . 32.5 Cg_exo -57.04 130.89 42.13 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.345 3.363 . . . . 0.0 109.578 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -48.56 -23.88 1.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.408 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.3 OUTLIER -51.21 -22.68 2.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.99 ' O ' HD23 ' A' ' 38' ' ' LEU . 67.3 t80 -69.86 133.66 47.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.99 HD23 ' O ' ' A' ' 37' ' ' PHE . 25.1 mt -141.96 125.15 16.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 43' ' ' SER . 34.6 t -40.27 129.52 1.69 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 108.305 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 55.4 Cg_endo -72.87 1.09 6.83 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.321 3.347 . . . . 0.0 109.557 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -124.31 -35.93 2.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.639 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.6 p -144.66 42.28 1.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 108.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.616 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.4 m 19.75 -93.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.961 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.889 HD23 ' CD1' ' A' ' 49' ' ' PHE . 4.8 tp 89.55 142.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.43 18.64 32.17 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 10.5 mtmt 67.51 7.76 5.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.78 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -89.48 -38.48 14.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.727 ' HB ' HD21 ' A' ' 44' ' ' LEU . 62.1 t -85.37 17.7 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.889 ' CD1' HD23 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -106.13 146.27 30.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 16.0 mt-10 -149.71 -156.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.776 ' C ' HD12 ' A' ' 52' ' ' LEU . 4.6 mm-40 76.17 -158.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.335 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.776 HD12 ' C ' ' A' ' 51' ' ' GLU . 10.4 mp -130.63 174.34 10.01 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.68 177.47 11.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.127 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.5 t 64.56 127.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.019 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.4 135.15 36.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -155.33 -179.87 8.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.4 mttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.327 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.707 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.2 Cg_endo -94.29 156.67 2.08 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.386 3.391 . . . . 0.0 109.622 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -139.11 144.63 38.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.534 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 3.2 mtt -99.83 167.93 10.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.958 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' CD ' ' A' ' 51' ' ' GLU . 1.2 mt-30 -143.37 113.47 7.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 1.7 p -59.23 129.23 41.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.5 m -90.98 58.1 3.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.717 HG21 ' CD1' ' A' ' 44' ' ' LEU . 50.6 t -150.12 -61.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.4 p -118.22 3.03 12.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 108.264 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.477 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.7 tp-100 58.8 105.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 53.4 t90 -144.83 118.13 8.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 107.999 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mt -81.59 137.28 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 33.0 t80 -113.83 99.12 7.45 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.839 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 24.5 t0 -93.97 111.68 54.04 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 32.4 Cg_exo -56.79 -17.76 24.56 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.329 3.353 . . . . 0.0 109.576 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.467 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.26 -1.18 52.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.319 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -137.2 -57.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.47 -164.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 22' ' ' GLN . 41.1 mm-40 -123.91 60.15 20.09 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.054 0.931 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.478 ' HG2' ' CE ' ' A' ' 21' ' ' MET . 1.3 Cg_endo -44.19 -22.24 0.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.273 3.315 . . . . 0.0 109.64 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.478 ' CE ' ' HG2' ' A' ' 20' ' ' PRO . 3.1 mpp? -93.7 25.03 3.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 111.011 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 6.9 tt0 -139.78 17.92 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 4.7 m-20 82.74 24.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.261 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -147.88 98.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.11 156.02 54.81 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_exo -44.45 165.52 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.3 3.334 . . . . 0.0 109.63 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 46.06 55.18 7.67 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 111.031 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -125.05 100.91 32.65 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-O 122.068 0.937 . . . . 0.0 110.369 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 32' ' ' GLU . 83.8 Cg_exo -43.0 126.95 4.77 Favored 'Trans proline' 0 N--CA 1.448 -1.178 0 C-N-CA 124.297 3.331 . . . . 0.0 109.604 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.59 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 75.6 t-105 -46.23 -28.05 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 108.009 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.417 ' N ' ' C ' ' A' ' 29' ' ' PRO . 5.7 t -68.88 -44.35 73.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.15 . . . . 0.0 110.047 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -65.28 -33.5 76.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -51.86 112.67 3.4 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -52.05 127.15 22.39 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.327 3.352 . . . . 0.0 109.596 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 20.1 t70 -58.89 119.42 7.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.544 ' CB ' ' O ' ' A' ' 35' ' ' ASP . 1.2 t30 151.45 -53.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' ASN . 26.7 t80 -32.18 125.0 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.543 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 7.4 mt -118.09 146.35 44.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 t -60.38 121.84 62.97 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 108.301 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.4 Cg_endo -72.71 79.42 1.91 Allowed 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.304 3.336 . . . . 0.0 109.637 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.2 mm-40 161.13 -24.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.286 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.647 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.8 p -145.64 -46.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.331 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.52 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER 85.91 130.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.975 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.717 ' CD1' HG21 ' A' ' 8' ' ' VAL . 1.8 tp -135.94 156.8 48.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.431 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -80.19 6.78 58.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 71.54 4.05 4.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 0.729 . . . . 0.0 109.252 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 10.1 p-10 -89.78 -50.7 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 109.248 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.512 ' CG1' HD21 ' A' ' 44' ' ' LEU . 10.9 t -61.88 -42.51 94.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.428 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.4 OUTLIER -35.32 138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.501 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 3.3 pm0 -131.04 -178.06 4.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.519 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.5 mt-10 79.59 -153.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -145.88 -179.15 6.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.707 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.46 -174.82 4.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.451 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 25.3 t 53.19 -96.02 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.952 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -148.7 162.53 39.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -88.91 178.81 6.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.693 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 57.8 Cg_endo -88.32 136.54 3.41 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.348 3.365 . . . . 0.0 109.631 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.39 143.75 50.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 30' ' ' TRP . 4.6 mtt -99.94 156.74 16.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.444 ' NE2' ' OE2' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -132.49 119.83 21.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -74.84 143.0 44.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 108.298 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.453 ' C ' HG23 ' A' ' 8' ' ' VAL . 14.5 p -98.05 60.01 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 7' ' ' SER . 41.4 t -153.44 -61.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 20.8 p -107.07 -25.93 11.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 108.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.01 59.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.319 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -105.16 113.7 27.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 107.989 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' MET . 13.5 mt -79.11 126.89 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.7 t80 -94.55 99.07 11.29 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.856 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLY . 64.0 t0 -92.11 113.27 58.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' GLY . 50.8 Cg_exo -53.77 -24.36 30.28 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.347 3.364 . . . . 0.0 109.567 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.488 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -83.25 -1.3 52.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.46 -76.78 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 52.22 -131.29 37.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.7 mm-40 -147.86 79.21 9.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.063 0.935 . . . . 0.0 110.321 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.612 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 46.6 Cg_exo -62.76 -2.09 3.22 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.297 3.331 . . . . 0.0 109.642 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.488 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 1.9 mpp? -112.71 27.09 9.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.512 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 9.9 tt0 -140.19 19.63 2.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.5 m-20 82.66 18.93 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.2 t -137.45 95.99 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.851 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -78.58 168.04 30.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.851 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.8 Cg_endo -67.68 150.72 79.52 Favored 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.305 3.337 . . . . 0.0 109.611 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.21 51.33 53.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 47.6 m -121.19 139.01 28.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.072 0.939 . . . . 0.0 110.391 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.82 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.2 Cg_endo -73.17 126.8 11.43 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.294 3.329 . . . . 0.0 109.561 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.479 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 59.4 t-105 -55.08 -20.34 9.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 108.0 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.52 -54.09 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.82 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 1.1 tt0 -61.4 -30.71 70.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.448 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 4.6 t -38.95 128.2 1.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.145 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 47.3 Cg_exo -54.3 -168.43 0.01 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.323 3.349 . . . . 0.0 109.573 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 p30 -121.36 37.73 4.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.271 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -136.01 43.53 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.923 ' O ' HD23 ' A' ' 38' ' ' LEU . 53.7 t80 -126.55 130.81 51.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.923 HD23 ' O ' ' A' ' 37' ' ' PHE . 6.8 mt -146.41 138.95 25.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.482 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -35.98 116.11 0.62 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.329 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -78.77 8.59 3.65 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.281 3.321 . . . . 0.0 109.572 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -138.32 7.02 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.699 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -175.85 34.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 108.272 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.674 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.9 OUTLIER 11.7 90.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.01 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.63 HD11 ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -123.21 126.8 47.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.678 ' HA2' HD22 ' A' ' 38' ' ' LEU . . . -60.05 -159.62 0.06 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.76 26.0 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.777 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.453 ' C ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -115.35 36.9 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.63 ' HB ' HD11 ' A' ' 44' ' ' LEU . 39.9 t -153.83 -59.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.8 m-85 -32.6 124.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.5 pm0 -111.35 177.66 4.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.518 ' C ' HD23 ' A' ' 52' ' ' LEU . 1.2 mt-10 86.41 -152.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.518 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -143.89 -171.73 3.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.693 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -152.72 177.39 10.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.501 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 15.9 t 69.55 129.26 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -44.24 159.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -139.15 178.98 6.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' H3 ' ' CD ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.853 ' CB ' HD22 ' A' ' 52' ' ' LEU . 6.4 Cg_endo -88.52 171.29 5.26 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.344 3.362 . . . . 0.0 109.594 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -144.58 155.63 43.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.271 -179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.751 ' HE3' ' CE3' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -102.78 -172.97 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.434 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -161.47 104.12 1.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.685 ' SG ' HD22 ' A' ' 44' ' ' LEU . 34.7 t -62.09 120.19 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.113 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.462 ' C ' HG23 ' A' ' 8' ' ' VAL . 1.5 m -80.44 53.45 1.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.543 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 83.9 t -154.19 -62.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 9.0 p -92.43 -32.54 14.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.43 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.85 64.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 13.4 t90 -119.25 122.64 42.39 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.434 HG12 ' CG ' ' A' ' 5' ' ' GLN . 2.8 mt -84.62 107.3 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.354 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 37.9 t80 -79.47 97.35 6.37 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.044 -0.98 . . . . 0.0 109.824 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -98.45 110.81 58.14 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.827 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 52.1 Cg_exo -52.14 -19.06 8.3 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.321 3.347 . . . . 0.0 109.634 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.13 -6.8 58.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.59 -67.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.1 -144.48 13.05 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.9 mm-40 -128.34 79.83 73.42 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.068 0.937 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.69 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.3 Cg_exo -70.38 10.88 0.51 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.327 3.351 . . . . 0.0 109.617 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.69 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -130.67 21.33 5.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 111.009 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.573 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -134.95 12.85 3.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 5.4 t0 88.17 29.04 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.407 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.0 t -150.57 94.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.606 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.35 168.84 23.51 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.606 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.1 Cg_exo -57.33 172.13 1.04 Allowed 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.259 3.306 . . . . 0.0 109.589 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.87 59.29 0.91 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 31.2 m -121.62 111.73 32.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.099 0.952 . . . . 0.0 110.43 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HB2' ' CB ' ' A' ' 32' ' ' GLU . 92.8 Cg_exo -45.88 118.73 2.45 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.273 3.315 . . . . 0.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.751 ' CE3' ' HE3' ' A' ' 4' ' ' MET . 52.2 t-105 -48.14 -37.1 14.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -36.14 79.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 110.007 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.455 ' CB ' ' HB2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.34 -36.74 77.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 t -47.2 132.97 9.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -54.8 126.25 21.82 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.285 3.324 . . . . 0.0 109.624 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.495 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 2.9 m-20 -66.87 107.45 2.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.554 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 156.06 -53.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.606 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -28.17 142.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.5 OUTLIER -138.39 139.02 38.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.2 p -52.99 131.95 49.58 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.42 79.64 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.358 3.372 . . . . 0.0 109.585 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 172.98 -46.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.742 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -130.12 -42.56 1.22 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 108.273 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER 90.04 133.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.99 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.685 HD22 ' SG ' ' A' ' 6' ' ' CYS . 3.9 tp -131.58 147.55 52.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -81.36 11.56 43.81 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.654 ' CD ' ' CH2' ' A' ' 30' ' ' TRP . 2.9 mtmt 67.58 36.6 3.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.606 ' O ' HG23 ' A' ' 48' ' ' VAL . 0.9 OUTLIER -139.47 45.71 1.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 ' HB ' HD21 ' A' ' 44' ' ' LEU . 65.4 t -159.21 -53.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 48' ' ' VAL . 1.3 m-85 -24.22 126.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.564 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 9.4 mt-10 -38.15 -47.88 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.324 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.564 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 12.0 tt0 91.36 77.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.853 HD22 ' CB ' ' A' ' 2' ' ' PRO . 1.1 mt -162.87 91.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.827 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.25 -172.57 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 43.1 t 40.25 92.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -42.68 136.08 2.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.99 -60.85 2.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 tttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 68.0 Cg_endo -93.26 165.4 2.44 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.318 3.345 . . . . 0.0 109.592 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.56 154.25 50.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.474 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 5.0 mtp -122.79 160.13 26.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.492 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -138.71 146.6 41.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.308 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.18 149.63 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.455 ' C ' HG23 ' A' ' 8' ' ' VAL . 23.2 p -93.5 55.54 2.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 109.978 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 7' ' ' SER . 41.0 t -153.69 -55.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.614 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.34 -40.05 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 108.275 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 86.7 57.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 32.0 t90 -98.41 123.04 42.31 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 HG12 ' CG ' ' A' ' 5' ' ' GLN . 83.8 mt -85.17 107.11 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.3 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 21.7 t80 -83.69 102.21 12.08 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.819 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD2' ' CG ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -97.57 111.99 60.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.517 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 53.5 Cg_exo -52.52 -20.6 12.33 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.312 3.341 . . . . 0.0 109.604 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -74.99 -10.01 59.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.1 OUTLIER -139.7 -68.64 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.37 -121.9 19.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.132 . . . . 0.0 111.029 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.4 mm-40 -146.62 80.4 9.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 122.091 0.948 . . . . 0.0 110.276 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.623 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 30.0 Cg_exo -64.45 2.3 1.28 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.36 3.373 . . . . 0.0 109.584 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.623 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -125.52 27.46 6.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 24' ' ' VAL . 4.3 tt0 -139.23 28.5 2.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.094 . . . . 0.0 110.325 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.69 21.56 6.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 22' ' ' GLN . 19.1 t -137.81 90.58 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.092 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -77.83 152.5 80.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.417 ' HD3' ' HG3' ' A' ' 20' ' ' PRO . 88.4 Cg_exo -45.43 156.2 0.37 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.39 3.393 . . . . 0.0 109.568 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 55.29 54.5 33.84 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -123.38 109.99 30.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.087 0.946 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' GLU . 88.7 Cg_exo -42.74 132.07 5.53 Favored 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.303 3.335 . . . . 0.0 109.625 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.67 ' CH2' ' CD ' ' A' ' 46' ' ' LYS . 57.8 t-105 -48.65 -39.02 22.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 107.995 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m -64.35 -33.91 76.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.974 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -70.71 -17.26 62.83 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 110.27 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.905 HG12 ' HE2' ' A' ' 46' ' ' LYS . 94.9 t -77.46 115.83 52.79 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.61 140.98 95.14 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.329 3.353 . . . . 0.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' HA ' ' HZ2' ' A' ' 46' ' ' LYS . 1.4 p-10 -58.79 -23.91 60.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -24.61 19.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.051 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.9 t80 -65.45 132.49 49.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.051 HD23 ' O ' ' A' ' 37' ' ' PHE . 11.3 mt -136.64 123.22 20.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 43' ' ' SER . 24.8 t -42.14 129.92 2.68 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.137 . . . . 0.0 108.308 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.436 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 53.6 Cg_endo -72.3 0.58 7.17 Favored 'Trans proline' 0 N--CA 1.447 -1.211 0 C-N-CA 124.308 3.339 . . . . 0.0 109.557 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -123.5 -38.41 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.268 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.627 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -142.29 43.3 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 108.26 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.627 ' C ' ' O ' ' A' ' 42' ' ' CYS . 2.8 m 18.47 -95.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.974 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.719 HD23 ' HD1' ' A' ' 49' ' ' PHE . 3.6 tp 87.66 140.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.438 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -87.17 35.86 3.38 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.476 1.11 . . . . 0.0 111.027 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.905 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.5 OUTLIER 41.11 29.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 0.73 . . . . 0.0 109.312 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.744 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.9 m-20 -121.88 42.95 2.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 47' ' ' ASP . 25.2 t -161.35 -48.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' HD1' HD23 ' A' ' 44' ' ' LEU . 2.6 m-85 -29.32 144.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' C ' ' HG2' ' A' ' 51' ' ' GLU . 30.1 mt-10 -121.16 -170.17 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.91 ' C ' HD13 ' A' ' 52' ' ' LEU . 2.8 mm-40 64.03 -154.39 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.309 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -151.17 169.57 21.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.517 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -132.6 -169.99 2.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.438 ' HB2' ' N ' ' A' ' 29' ' ' PRO . 29.8 t 61.57 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.005 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.79 22.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.29 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -87.35 -58.87 2.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 mttp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.67 ' O ' ' HG2' ' A' ' 15' ' ' PRO . 8.0 Cg_exo -73.97 178.19 7.19 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.277 3.318 . . . . 0.0 109.607 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' HG3' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -146.5 155.11 42.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.482 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 8.8 mtt -120.89 157.0 30.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.477 1.11 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.469 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.9 OUTLIER -135.35 126.99 28.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -78.93 155.48 28.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.332 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -104.86 58.57 0.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 7' ' ' SER . 94.3 t -157.05 -57.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.488 ' HB3' ' CB ' ' A' ' 42' ' ' CYS . 32.1 p -108.66 -27.65 9.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.298 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 75.81 37.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -84.44 105.92 15.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.006 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.6 mt -62.19 113.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.666 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 40.9 t80 -81.74 79.11 8.38 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.805 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.2 p-10 -62.18 105.77 0.7 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.67 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 31.8 Cg_exo -63.59 -12.09 29.41 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.284 3.322 . . . . 0.0 109.638 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -71.91 -18.73 62.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -139.86 -54.62 0.55 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.61 -125.61 7.67 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' O ' ' CB ' ' A' ' 22' ' ' GLN . 1.0 OUTLIER -136.46 67.16 59.65 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.05 0.929 . . . . 0.0 110.267 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' CB ' ' HE2' ' A' ' 21' ' ' MET . 58.4 Cg_exo -36.86 146.43 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.289 3.326 . . . . 0.0 109.602 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.458 ' CE ' ' N ' ' A' ' 21' ' ' MET . 14.0 mmt 64.93 32.12 10.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.437 ' CB ' ' O ' ' A' ' 19' ' ' GLU . 4.3 tt0 -138.14 19.47 2.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.84 24.01 4.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 t -148.89 98.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.831 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -88.87 166.73 20.86 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.831 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.4 Cg_endo -55.32 157.31 14.72 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.314 3.343 . . . . 0.0 109.615 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 52.22 53.79 29.5 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.452 1.095 . . . . 0.0 110.983 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.7 m -122.2 110.59 32.59 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 122.119 0.961 . . . . 0.0 110.355 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' N ' ' HB2' ' A' ' 54' ' ' SER . 82.2 Cg_exo -47.0 135.05 18.26 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.295 3.33 . . . . 0.0 109.615 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' A' ' 46' ' ' LYS . 68.9 t-105 -55.16 -31.06 61.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 107.975 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.42 -37.62 77.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.949 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.63 -25.81 63.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.819 HG12 ' HE2' ' A' ' 46' ' ' LYS . 71.6 t -63.17 114.07 11.47 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.457 ' O ' ' NZ ' ' A' ' 46' ' ' LYS . 83.1 Cg_exo -50.02 -177.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.279 0 C-N-CA 124.316 3.344 . . . . 0.0 109.639 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.5 p30 -106.67 30.3 6.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.11 35.41 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.05 ' O ' HD23 ' A' ' 38' ' ' LEU . 66.4 t80 -123.61 129.93 51.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.05 HD23 ' O ' ' A' ' 37' ' ' PHE . 8.8 mt -135.68 147.5 48.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 38' ' ' LEU . 1.3 m -40.39 141.5 0.86 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 108.293 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HG2' ' HG2' ' A' ' 41' ' ' GLU . 54.7 Cg_endo -79.05 1.36 9.23 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.281 3.321 . . . . 0.0 109.581 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.591 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 2.6 pt-20 -172.69 64.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.318 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.591 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 163.05 -26.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 108.288 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.433 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 1.8 p 62.05 163.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.736 HD21 ' HB ' ' A' ' 48' ' ' VAL . 4.7 tp -178.44 -165.21 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -143.3 21.5 2.25 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.819 ' HE2' HG12 ' A' ' 33' ' ' VAL . 16.7 mttp 67.22 10.11 7.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.267 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 11.5 p-10 -97.73 32.26 2.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.736 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -151.76 -60.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CE1' ' HB2' ' A' ' 6' ' ' CYS . 8.3 m-85 -32.92 115.02 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 2.7 pt-20 -111.4 -176.46 2.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 0.9 OUTLIER 85.51 -154.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 110.329 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -139.48 -175.7 4.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -158.17 -165.18 1.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 2' ' ' PRO . 29.3 t 39.66 -99.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.983 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.4 OUTLIER 35.74 80.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.92 175.88 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.487 ' CD ' ' O ' ' A' ' 54' ' ' SER . 1.8 Cg_endo -83.86 159.2 13.93 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.322 3.348 . . . . 0.0 109.574 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.422 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -135.77 157.61 46.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.27 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.507 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 6.0 mtp -122.93 -177.73 3.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' N ' HE21 ' A' ' 5' ' ' GLN . 0.0 OUTLIER -165.25 147.26 7.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.01 124.75 47.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.24 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.1 p -81.68 52.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 46.8 t -138.51 -57.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 7.4 p -105.25 -29.4 10.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 108.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.523 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 87.79 61.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 49.0 t90 -118.29 119.52 34.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 107.952 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.0 mt -86.44 125.64 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.411 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 27.5 t80 -94.53 100.85 12.75 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.838 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 22.5 m-20 -101.37 109.32 58.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.907 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 77.4 Cg_exo -53.31 -17.65 9.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.283 3.322 . . . . 0.0 109.608 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.93 -25.74 67.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.311 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -128.98 -58.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.57 -150.15 31.27 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 24.0 mm-40 -129.67 58.29 36.72 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.071 0.939 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 5.6 Cg_endo -45.62 -21.88 0.97 Allowed 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.308 3.339 . . . . 0.0 109.602 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.475 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.77 26.41 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.046 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.0 tt0 -141.21 18.37 2.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.271 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.1 t70 81.19 21.29 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.8 t -141.23 96.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.344 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.842 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -79.94 167.02 36.77 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.842 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 21.8 Cg_endo -61.76 146.68 96.48 Favored 'Trans proline' 0 N--CA 1.448 -1.174 0 C-N-CA 124.294 3.329 . . . . 0.0 109.557 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.25 49.98 42.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.7 m -121.86 109.81 33.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.049 0.928 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.529 ' HG3' ' C ' ' A' ' 57' ' ' LYS . 83.5 Cg_exo -42.09 125.89 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.345 3.364 . . . . 0.0 109.561 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.607 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 39.1 t-105 -48.22 -34.29 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.7 p -64.16 -38.53 91.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -69.67 -28.35 65.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.764 HG12 ' HE2' ' A' ' 46' ' ' LYS . 82.3 t -60.92 112.5 5.8 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.255 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.52 135.23 69.19 Favored 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.277 3.318 . . . . 0.0 109.613 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 46' ' ' LYS . 5.7 m-20 -55.12 -23.16 19.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.25 -24.88 20.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 1.039 ' O ' HD23 ' A' ' 38' ' ' LEU . 64.1 t80 -65.14 133.38 51.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 1.039 HD23 ' O ' ' A' ' 37' ' ' PHE . 21.6 mt -137.58 131.9 32.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.234 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' O ' ' HA ' ' A' ' 43' ' ' SER . 16.3 t -45.71 129.53 6.68 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 108.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 43.4 Cg_endo -69.93 -0.77 7.54 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.263 3.309 . . . . 0.0 109.623 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -125.92 -37.77 2.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.715 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 10.4 p -136.3 41.35 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.655 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.8 OUTLIER 13.8 -91.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 110.021 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.661 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.3 tp 89.5 177.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.441 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -126.46 41.03 1.69 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.501 1.125 . . . . 0.0 111.01 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.764 ' HE2' HG12 ' A' ' 33' ' ' VAL . 0.1 OUTLIER 39.66 29.76 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 45' ' ' GLY . 0.6 OUTLIER -114.93 29.1 8.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.661 ' HB ' HD21 ' A' ' 44' ' ' LEU . 5.4 t -152.01 -54.96 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.143 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.534 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.7 m-85 -25.7 137.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 4' ' ' MET . 2.2 mt-10 -125.28 -172.91 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER 71.48 -161.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.447 ' N ' ' OE1' ' A' ' 51' ' ' GLU . 0.2 OUTLIER -141.27 -176.53 4.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.907 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.94 -163.79 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.487 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.6 t 61.38 129.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.567 1.167 . . . . 0.0 110.008 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.8 -27.72 13.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.34 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.07 -61.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.529 ' C ' ' HG3' ' A' ' 29' ' ' PRO . 8.7 tttt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.644 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 56.7 Cg_endo -92.05 165.17 3.16 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.355 3.37 . . . . 0.0 109.61 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.29 160.68 38.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.26 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.574 ' HE3' ' CB ' ' A' ' 30' ' ' TRP . 11.4 mtp -127.13 179.88 5.21 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 144.48 3.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -83.08 160.61 21.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 108.3 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.9 p -102.76 25.54 9.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 HD11 ' A' ' 44' ' ' LEU . 70.6 t -121.96 -52.54 3.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.592 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -107.44 -38.56 5.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.24 53.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 57.1 t90 -92.99 115.68 28.35 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' MET . 4.6 mt -74.0 113.38 12.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 21.3 t80 -90.46 104.32 16.91 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.88 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 18' ' ' GLY . 26.8 t0 -98.98 110.7 58.63 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.992 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 73.7 Cg_exo -52.47 -18.81 8.81 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.345 3.364 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -80.72 -7.18 59.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -138.52 -66.29 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 44.16 -124.82 5.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' ' 21' ' ' MET . 24.9 mm-40 -148.12 84.69 6.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.064 0.935 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 22.2 Cg_exo -68.06 6.22 0.9 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.343 3.362 . . . . 0.0 109.576 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' ' 19' ' ' GLU . 12.9 mmt -131.21 29.02 4.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.536 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.1 tt0 -136.18 16.08 3.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.1 OUTLIER 84.57 17.55 0.17 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.3 t -139.31 94.95 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.563 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -77.87 165.13 53.1 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.563 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 51.7 Cg_exo -52.91 167.29 0.67 Allowed 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.292 3.328 . . . . 0.0 109.626 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 38.28 56.18 1.91 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 m -120.51 101.78 45.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.028 0.918 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.504 ' HG2' ' OE1' ' A' ' 32' ' ' GLU . 89.3 Cg_exo -42.93 128.99 5.43 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.322 3.348 . . . . 0.0 109.643 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.58 ' CH2' ' HD3' ' A' ' 46' ' ' LYS . 70.6 t-105 -52.93 -24.61 9.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 108.047 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 93.6 p -71.18 -46.43 61.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.504 ' OE1' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -65.64 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 110.335 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 37.6 t -47.77 121.0 8.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -54.99 164.98 3.0 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.354 3.37 . . . . 0.0 109.569 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 15.3 t70 -94.56 113.48 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.538 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.9 OUTLIER 157.6 -56.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.505 ' C ' ' O ' ' A' ' 36' ' ' ASN . 20.3 t80 -28.45 121.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.538 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 49.6 mt -117.73 131.0 56.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' SER . 45.9 t -47.49 130.73 10.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 108.305 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 45.2 Cg_endo -70.58 2.1 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.26 3.306 . . . . 0.0 109.609 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -126.04 -39.2 2.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.622 ' O ' ' C ' ' A' ' 43' ' ' SER . 14.1 p -140.86 44.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 108.307 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.622 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 17.23 -89.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 109.983 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.752 HD22 ' HB ' ' A' ' 48' ' ' VAL . 10.9 mt 74.2 121.93 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 47' ' ' ASP . . . -75.18 52.96 2.63 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.58 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.1 OUTLIER 36.28 33.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 0.773 . . . . 0.0 109.28 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.53 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 3.8 m-20 -124.74 24.91 7.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.752 ' HB ' HD22 ' A' ' 44' ' ' LEU . 96.3 t -158.15 34.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -114.14 141.39 47.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 51' ' ' GLU . 9.2 pt-20 -120.19 -160.6 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.528 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 1.2 mp0 49.51 -169.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.0 OUTLIER -141.6 179.39 6.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.992 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -142.81 -163.79 1.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.252 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.498 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 47.8 t 65.87 130.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.023 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -57.26 146.83 27.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -138.94 -53.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.746 ' HG2' ' CA ' ' A' ' 53' ' ' ALA . 85.0 Cg_endo -92.53 166.0 2.83 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.297 3.331 . . . . 0.0 109.57 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' O ' ' CB ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -127.27 163.39 24.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.708 ' HE1' ' CD2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -133.4 136.63 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.35 154.53 36.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.289 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.495 ' SG ' ' CD1' ' A' ' 44' ' ' LEU . 2.6 t -105.12 127.44 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.272 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.476 ' C ' HG23 ' A' ' 8' ' ' VAL . 35.8 p -82.37 53.61 2.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.526 ' CG1' ' SG ' ' A' ' 42' ' ' CYS . 43.6 t -154.88 -63.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 8.3 p -92.07 -35.95 13.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 108.285 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.445 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 82.79 57.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -107.43 129.43 54.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 108.022 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mt -85.38 114.09 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 38.7 t80 -94.72 97.82 10.34 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.802 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' OD1' ' HB3' ' A' ' 16' ' ' ALA . 17.3 t70 -100.25 109.26 56.11 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 54.1 Cg_exo -50.55 -21.19 7.29 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.275 3.316 . . . . 0.0 109.6 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.509 ' HB3' ' OD1' ' A' ' 14' ' ' ASP . . . -77.55 -8.79 58.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.346 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.455 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.03 -66.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 49.17 -147.01 6.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.473 ' C ' ' H ' ' A' ' 21' ' ' MET . 9.0 mm-40 -122.81 80.57 49.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 122.046 0.927 . . . . 0.0 110.312 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.517 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 24.3 Cg_exo -62.62 0.52 1.43 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.294 3.329 . . . . 0.0 109.558 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.517 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.7 OUTLIER -128.46 34.68 4.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.6 tt0 -141.79 20.51 2.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.313 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 77.49 18.16 1.37 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.6 t -140.91 99.52 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.265 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -83.92 165.53 38.79 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.785 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 11.1 Cg_endo -54.68 170.25 0.64 Allowed 'Trans proline' 0 N--CA 1.446 -1.278 0 C-N-CA 124.333 3.355 . . . . 0.0 109.62 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.76 58.45 1.47 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.5 m -124.98 110.39 27.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-O 122.051 0.929 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.476 ' O ' ' N ' ' A' ' 32' ' ' GLU . 80.4 Cg_exo -47.94 118.78 3.33 Favored 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 124.313 3.342 . . . . 0.0 109.623 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.708 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 60.4 t-105 -45.4 -30.1 1.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 108.004 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.7 t -66.99 -44.33 80.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' PRO . 2.4 tt0 -64.24 -35.25 80.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.7 t -49.37 126.69 16.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -55.81 145.32 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.261 3.307 . . . . 0.0 109.561 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 26.6 p-10 -79.67 110.36 14.94 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.564 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 0.8 OUTLIER 157.53 -55.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 37' ' ' PHE . 0.6 OUTLIER -29.44 143.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.988 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.564 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -140.32 145.24 36.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.77 131.8 94.51 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 108.283 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.485 ' O ' ' CB ' ' A' ' 41' ' ' GLU . 57.5 Cg_endo -74.51 87.29 1.26 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.314 3.343 . . . . 0.0 109.584 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.485 ' CB ' ' O ' ' A' ' 40' ' ' PRO . 3.4 mm-40 162.04 -46.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.337 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.802 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 0.5 OUTLIER -129.32 -45.28 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.544 ' N ' ' SG ' ' A' ' 42' ' ' CYS . 1.4 m 77.13 147.56 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.96 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.501 HD21 HG21 ' A' ' 8' ' ' VAL . 33.5 mt -149.03 164.57 34.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -85.31 14.29 51.01 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.465 1.103 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.624 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 3.5 mtmt 66.84 45.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 0.759 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.534 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 0.7 OUTLIER -144.44 44.68 1.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.534 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 89.0 t -158.35 -51.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.513 ' C ' ' O ' ' A' ' 48' ' ' VAL . 0.3 OUTLIER -28.37 145.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.471 ' O ' ' O ' ' A' ' 49' ' ' PHE . 9.1 mt-10 -58.34 -127.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.618 ' CG ' ' O ' ' A' ' 51' ' ' GLU . 5.3 pt-20 -178.61 88.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.3 mt -169.16 78.16 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.746 ' CA ' ' HG2' ' A' ' 2' ' ' PRO . . . -147.16 163.12 37.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.485 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 1.9 t 38.71 95.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.684 ' HB2' ' HG3' ' A' ' 2' ' ' PRO . 21.7 mt-10 -162.26 174.56 12.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -171.26 53.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.3 mttt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.549 ' CD ' ' O ' ' A' ' 54' ' ' SER . 73.9 Cg_endo -93.73 161.3 2.3 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.266 3.311 . . . . 0.0 109.592 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.519 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.53 146.33 37.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.341 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.52 ' HA ' ' CB ' ' A' ' 51' ' ' GLU . 2.0 mtp -96.9 -173.46 2.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -169.48 121.52 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.86 153.06 38.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.772 ' O ' HG23 ' A' ' 8' ' ' VAL . 21.6 p -111.42 69.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.973 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.902 HG21 ' CD1' ' A' ' 44' ' ' LEU . 2.7 t -163.47 -56.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.577 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 16.8 p -104.37 -32.79 8.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 108.299 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.552 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 89.89 68.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.323 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -121.85 125.08 45.64 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.461 HG23 ' O ' ' A' ' 4' ' ' MET . 4.4 mt -89.85 132.07 35.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -94.02 100.8 12.86 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.825 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 18' ' ' GLY . 9.7 t0 -98.58 110.95 58.92 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.555 ' HG3' ' HB1' ' A' ' 53' ' ' ALA . 51.0 Cg_exo -52.57 -24.05 21.36 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.309 3.34 . . . . 0.0 109.607 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.36 -11.86 59.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -131.3 -74.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 109.335 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 55.36 -148.01 26.44 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.425 ' C ' ' H ' ' A' ' 21' ' ' MET . 7.5 mm-40 -130.7 78.23 74.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.096 0.95 . . . . 0.0 110.281 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.57 ' HG3' ' HD3' ' A' ' 26' ' ' PRO . 32.2 Cg_exo -64.91 -0.27 3.1 Favored 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.302 3.334 . . . . 0.0 109.554 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.479 ' CE ' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -118.8 26.03 9.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 111.012 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.0 tt0 -138.57 16.88 2.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.349 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 9.0 t0 85.27 22.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 19' ' ' GLU . 20.3 t -144.56 101.34 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -86.17 165.6 33.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.6 Cg_exo -54.96 174.51 0.2 Allowed 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.314 3.343 . . . . 0.0 109.62 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 26' ' ' PRO . . . 35.72 58.07 0.95 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.506 1.128 . . . . 0.0 110.981 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.677 HG23 ' HD2' ' A' ' 29' ' ' PRO . 8.7 m -121.16 142.21 34.55 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.086 0.946 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.864 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 71.6 Cg_endo -77.74 119.79 4.91 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.315 3.343 . . . . 0.0 109.557 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.49 ' CG ' ' CE ' ' A' ' 4' ' ' MET . 69.0 t-105 -55.92 -19.88 13.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 108.031 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.2 -53.66 8.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.864 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.2 tt0 -63.64 -28.65 70.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.461 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 3.3 t -38.95 130.37 1.18 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 48.9 Cg_exo -53.93 155.68 14.15 Favored 'Trans proline' 0 N--CA 1.447 -1.261 0 C-N-CA 124.296 3.33 . . . . 0.0 109.602 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -91.47 101.73 14.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 3.8 t30 163.01 -63.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.621 ' C ' ' O ' ' A' ' 36' ' ' ASN . 8.4 t80 -15.15 120.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 36' ' ' ASN . 1.1 mm? -117.97 135.18 54.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' C ' ' O ' ' A' ' 38' ' ' LEU . 2.6 t -31.14 129.26 0.27 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 108.295 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -78.96 5.28 5.82 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.348 3.365 . . . . 0.0 109.596 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' O ' ' HB3' ' A' ' 42' ' ' CYS . 28.3 mm-40 -136.48 4.43 2.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.696 ' O ' ' C ' ' A' ' 43' ' ' SER . 1.7 p 178.13 39.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.696 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.2 OUTLIER -0.3 83.36 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.902 ' CD1' HG21 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -109.66 148.93 30.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -57.35 -174.37 0.3 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.133 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER -110.65 21.98 15.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 0.767 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.454 ' CG ' ' N ' ' A' ' 48' ' ' VAL . 4.4 p-10 -96.22 -51.62 4.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.754 ' HB ' HD21 ' A' ' 44' ' ' LEU . 34.4 t -62.6 -50.44 79.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.5 m-85 -35.68 151.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -142.49 -156.42 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.52 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 59.15 -162.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -143.89 179.31 7.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 109.298 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.555 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -153.36 174.84 13.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.549 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.2 t 80.84 -176.57 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.062 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' CB ' ' O ' ' A' ' 54' ' ' SER . 2.6 tm-20 86.14 -54.11 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 55.5 -170.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tptt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.53 ' HB2' ' N ' ' A' ' 53' ' ' ALA . 15.0 Cg_exo -72.79 134.59 22.13 Favored 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.315 3.343 . . . . 0.0 109.567 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -139.48 134.88 32.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.725 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.5 mtt -83.12 176.43 9.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.121 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.28 93.39 1.8 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.254 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' GLN . 18.7 p -54.44 127.23 26.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 108.268 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.6 p -85.51 39.09 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.042 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG21 ' CD1' ' A' ' 44' ' ' LEU . 91.0 t -128.56 -59.46 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.558 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.9 OUTLIER -123.81 17.94 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.508 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.6 OUTLIER 37.3 97.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -133.64 105.3 6.77 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' MET . 1.8 mt -73.08 122.37 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.243 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 35.2 t80 -100.99 93.15 5.35 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 114.96 -1.018 . . . . 0.0 109.826 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.0 OUTLIER -89.26 113.28 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.244 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.516 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 51.1 Cg_exo -54.22 -16.95 10.64 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.346 3.364 . . . . 0.0 109.533 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -86.25 -5.68 59.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.12 -64.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.105 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 41.44 -133.88 3.31 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.461 ' C ' ' H ' ' A' ' 21' ' ' MET . 55.7 mm-40 -147.98 82.16 7.94 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.045 0.926 . . . . 0.0 110.281 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.7 Cg_exo -70.23 9.28 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.221 0 C-N-CA 124.362 3.375 . . . . 0.0 109.599 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.684 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -119.2 24.19 10.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.56 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.5 tt0 -142.12 14.92 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.271 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 8.3 t70 86.43 24.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 t -139.8 89.61 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.649 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -75.86 168.74 25.08 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.649 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 41.5 Cg_exo -55.49 165.54 3.23 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.335 3.357 . . . . 0.0 109.609 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.19 60.78 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.491 1.119 . . . . 0.0 111.014 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 25' ' ' ALA . 7.1 m -116.1 110.09 43.98 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-O 122.05 0.929 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' O ' ' N ' ' A' ' 32' ' ' GLU . 85.4 Cg_exo -47.13 119.89 3.84 Favored 'Trans proline' 0 N--CA 1.447 -1.217 0 C-N-CA 124.311 3.34 . . . . 0.0 109.6 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.725 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 74.2 t-105 -44.03 -29.24 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.427 ' N ' ' C ' ' A' ' 29' ' ' PRO . 1.2 t -67.47 -47.73 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 29' ' ' PRO . 3.4 tt0 -63.45 -36.24 83.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.324 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 69.2 t -46.14 120.28 5.45 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -55.79 157.97 14.85 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 0.0 109.584 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -86.01 12.78 8.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.33 26.19 8.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.924 ' C ' HD22 ' A' ' 38' ' ' LEU . 49.5 t80 -115.67 131.72 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.977 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.924 HD22 ' C ' ' A' ' 37' ' ' PHE . 3.6 mm? -141.42 138.68 33.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 43' ' ' SER . 2.4 t -42.41 125.07 2.88 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 108.275 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -69.9 0.81 5.21 Favored 'Trans proline' 0 N--CA 1.448 -1.2 0 C-N-CA 124.298 3.332 . . . . 0.0 109.543 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.408 ' CB ' ' SG ' ' A' ' 9' ' ' CYS . 13.0 mm-40 -126.72 -33.45 2.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 110.305 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.64 ' O ' ' C ' ' A' ' 43' ' ' SER . 8.9 p -139.19 43.58 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 108.282 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.64 ' C ' ' O ' ' A' ' 42' ' ' CYS . 3.2 m 16.19 -89.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.002 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.818 HD21 ' HB ' ' A' ' 48' ' ' VAL . 5.1 tp 90.45 -164.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 46' ' ' LYS . . . -146.25 42.08 0.97 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.57 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.4 OUTLIER 38.81 33.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 109.289 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.486 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 29.7 m-20 -128.26 39.09 3.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.818 ' HB ' HD21 ' A' ' 44' ' ' LEU . 1.6 t -153.58 -57.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 48' ' ' VAL . 6.7 m-85 -25.02 135.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.97 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 68.1 mm-40 -49.32 -99.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.273 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 2.8 tt0 160.73 81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' ' 52' ' ' LEU . 2.0 tp -164.83 86.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -143.39 162.5 35.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 29' ' ' PRO . 38.7 t 55.47 106.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.996 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 2' ' ' PRO . 1.3 tt0 -50.49 117.14 2.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.28 -56.76 3.08 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.66 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.6 Cg_endo -91.9 142.95 2.72 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.347 3.365 . . . . 0.0 109.611 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.93 147.32 49.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.313 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.609 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 4.8 mtt -109.06 162.67 14.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 111.004 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.485 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -140.62 147.29 39.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -98.89 129.54 45.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.278 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.4 p -78.71 50.02 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.967 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.7 t -141.15 -56.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.8 p -109.9 -32.22 7.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 108.251 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.7 57.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 110.343 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 67.2 t90 -100.89 130.1 46.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 107.998 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.485 HG12 ' CG ' ' A' ' 5' ' ' GLN . 9.3 mt -89.27 126.23 42.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 35.5 t80 -97.73 100.13 11.51 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.845 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 8.6 t0 -92.59 112.36 55.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.434 ' HD3' ' O ' ' A' ' 13' ' ' TYR . 40.0 Cg_exo -55.96 -16.37 16.06 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 124.372 3.381 . . . . 0.0 109.565 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.29 -30.94 70.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.243 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -129.38 -59.24 1.1 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 56.07 -116.57 7.51 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 24' ' ' VAL . 6.4 mm-40 -147.26 85.24 6.92 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.094 0.949 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.681 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 94.7 Cg_endo -76.26 11.23 1.86 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.339 3.359 . . . . 0.0 109.588 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.681 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 15.1 mmt -131.51 24.29 4.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.608 ' OE1' ' CD1' ' A' ' 37' ' ' PHE . 14.1 tt0 -137.02 12.86 3.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.544 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 m-20 85.69 20.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.408 ' O ' ' O ' ' A' ' 19' ' ' GLU . 22.1 t -133.41 85.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -67.7 162.26 59.17 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.477 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 49.4 Cg_exo -54.08 171.05 0.4 Allowed 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.289 3.326 . . . . 0.0 109.612 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 37.33 56.54 1.49 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.2 m -117.56 132.12 23.75 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.108 0.956 . . . . 0.0 110.434 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.761 ' HG2' ' HB2' ' A' ' 32' ' ' GLU . 59.7 Cg_endo -71.35 121.44 7.76 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.306 3.337 . . . . 0.0 109.581 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.609 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 73.1 t-105 -47.14 -26.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 108.022 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.4 OUTLIER -65.51 -42.38 92.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB2' ' HG2' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -71.1 -33.96 70.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.4 t -45.74 117.55 3.79 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -56.04 167.29 2.5 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.314 3.343 . . . . 0.0 109.625 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -92.66 36.6 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -128.93 41.66 3.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.772 ' O ' HD23 ' A' ' 38' ' ' LEU . 44.5 t80 -117.52 135.36 53.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.772 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.2 OUTLIER -141.09 122.44 14.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' HB3' ' C ' ' A' ' 42' ' ' CYS . 4.8 t -39.78 129.18 1.51 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 108.314 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.421 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 52.2 Cg_endo -72.04 -0.75 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.342 3.362 . . . . 0.0 109.597 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -127.2 -37.61 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.311 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.762 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.3 p -133.23 42.99 2.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 108.312 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.63 ' C ' ' O ' ' A' ' 42' ' ' CYS . 42.8 m -15.47 121.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 ' CD2' ' HB ' ' A' ' 48' ' ' VAL . 4.3 tp -124.93 -162.47 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.38 -6.25 23.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.124 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 77.65 7.34 2.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -94.49 9.11 39.78 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.601 ' O ' ' C ' ' A' ' 49' ' ' PHE . 25.7 t -123.73 -61.84 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.601 ' C ' ' O ' ' A' ' 48' ' ' VAL . 3.4 m-85 -19.11 125.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' C ' ' CG ' ' A' ' 51' ' ' GLU . 2.7 mm-40 -110.97 179.84 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.489 ' CG ' ' C ' ' A' ' 50' ' ' GLU . 1.3 mt-10 84.4 -153.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD23 ' C ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -144.59 -178.07 5.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.66 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.62 -178.04 6.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.499 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 18.3 t 69.65 131.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.021 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -43.2 -60.12 1.8 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -170.9 53.96 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.095 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.507 ' CD ' ' O ' ' A' ' 54' ' ' SER . 10.1 Cg_exo -73.41 177.56 7.77 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.295 3.33 . . . . 0.0 109.622 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.602 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -155.32 159.3 39.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.549 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 5.7 mtp -129.42 158.73 38.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' CG ' HG12 ' A' ' 12' ' ' ILE . 1.1 mt-30 -140.64 137.76 33.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.38 138.3 31.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 108.276 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.6 p -82.55 52.84 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 93.9 t -149.28 -56.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.598 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.6 p -107.98 -35.56 6.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 108.299 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.86 53.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.489 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 35.0 t90 -91.4 119.82 31.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 108.004 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.507 HG12 ' CG ' ' A' ' 5' ' ' GLN . 81.7 mt -82.21 98.14 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 20.0 t80 -71.73 101.81 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.952 -1.022 . . . . 0.0 109.817 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' HB2' ' CD ' ' A' ' 17' ' ' LYS . 19.5 m-20 -92.96 113.48 59.92 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 2' ' ' PRO . 52.2 Cg_exo -53.16 -23.61 23.17 Favored 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.321 3.347 . . . . 0.0 109.576 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -81.48 -8.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' CD ' ' HB2' ' A' ' 14' ' ' ASP . 1.2 mtpt -131.5 -75.2 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 51.75 -125.58 26.92 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.464 1.103 . . . . 0.0 111.042 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' ' 21' ' ' MET . 15.8 mm-40 -147.65 82.38 8.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.08 0.943 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.625 ' HD2' ' HE3' ' A' ' 21' ' ' MET . 31.2 Cg_exo -62.23 0.98 1.06 Allowed 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.317 3.345 . . . . 0.0 109.597 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.625 ' HE3' ' HD2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -130.54 29.59 4.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.444 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 4.6 tt0 -134.65 23.0 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER 77.63 21.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.297 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.405 ' O ' ' O ' ' A' ' 19' ' ' GLU . 37.4 t -145.93 101.18 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.702 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.47 163.08 56.14 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.702 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 29.5 Cg_endo -63.91 153.91 73.01 Favored 'Trans proline' 0 N--CA 1.448 -1.198 0 C-N-CA 124.307 3.338 . . . . 0.0 109.546 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.32 50.41 62.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.461 1.101 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.472 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 32.9 m -126.66 139.06 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-O 122.08 0.943 . . . . 0.0 110.386 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.794 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 69.1 Cg_endo -73.74 130.53 14.77 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.341 3.361 . . . . 0.0 109.601 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.586 ' CZ2' ' HD2' ' A' ' 46' ' ' LYS . 47.4 t-105 -55.78 -25.28 40.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 108.035 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.57 -37.8 80.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.955 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.794 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 27.9 tt0 -73.44 -33.8 65.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 25.3 t -42.1 117.29 1.87 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -54.86 114.57 1.92 Allowed 'Trans proline' 0 N--CA 1.446 -1.269 0 C-N-CA 124.31 3.34 . . . . 0.0 109.611 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 6.9 m-20 -47.88 106.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.594 HD22 ' N ' ' A' ' 37' ' ' PHE . 1.3 t30 166.21 -62.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.594 ' N ' HD22 ' A' ' 36' ' ' ASN . 15.4 t80 -24.17 135.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.7 OUTLIER -133.19 134.12 43.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' N ' ' HA ' ' A' ' 43' ' ' SER . 16.4 t -41.93 129.71 2.55 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 108.309 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.5 Cg_endo -73.55 0.03 8.66 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.318 3.346 . . . . 0.0 109.601 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -124.44 -36.79 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.259 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.65 ' O ' ' C ' ' A' ' 43' ' ' SER . 7.5 p -138.95 43.03 2.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 108.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.65 ' C ' ' O ' ' A' ' 42' ' ' CYS . 69.5 m -14.75 123.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.017 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.975 HD13 ' HB ' ' A' ' 48' ' ' VAL . 15.3 mt -125.47 161.91 26.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 46' ' ' LYS . . . -84.93 13.83 51.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.586 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 1.0 OUTLIER 70.01 5.87 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -102.96 10.85 38.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 109.322 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.975 ' HB ' HD13 ' A' ' 44' ' ' LEU . 21.3 t -134.72 24.96 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -113.88 153.38 29.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 1.4 pt-20 -149.25 -174.46 4.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 1.5 mt-10 88.4 -152.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -138.56 -175.43 4.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.433 ' N ' ' HB2' ' A' ' 2' ' ' PRO . . . -166.35 179.93 5.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.507 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 4.6 t 65.58 132.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -54.04 129.46 34.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -50.19 178.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.677 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 74.1 Cg_endo -92.37 162.23 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.256 3.304 . . . . 0.0 109.591 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.557 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -147.18 167.92 22.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.321 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.48 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 9.1 mtt -120.18 151.83 38.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.478 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.3 OUTLIER -134.28 97.55 3.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.284 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.439 ' SG ' ' O ' ' A' ' 6' ' ' CYS . 15.1 p -52.59 121.77 7.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 108.299 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 77.6 p -83.39 41.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 110.02 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 41.2 t -130.83 -56.66 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -127.02 13.96 7.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.511 ' O ' ' O ' ' A' ' 9' ' ' CYS . 0.8 OUTLIER 48.48 107.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.3 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.5 t90 -142.04 102.79 4.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 108.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 5' ' ' GLN . 6.7 mt -76.57 99.56 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 27.3 t80 -79.05 98.84 6.64 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.836 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 22.3 t0 -93.26 112.28 55.63 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 27' ' ' GLY . 51.6 Cg_exo -52.21 -27.82 31.5 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.34 3.36 . . . . 0.0 109.582 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -10.37 58.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.322 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.4 OUTLIER -135.51 -73.71 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 53.63 -121.75 19.16 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.543 ' C ' ' H ' ' A' ' 21' ' ' MET . 34.0 mm-40 -147.18 79.92 9.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-O 122.09 0.948 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HD2' ' CE ' ' A' ' 21' ' ' MET . 17.2 Cg_exo -68.3 12.9 0.21 Allowed 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.311 3.341 . . . . 0.0 109.601 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.543 ' H ' ' C ' ' A' ' 19' ' ' GLU . 0.7 OUTLIER -148.07 33.27 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -138.52 13.26 2.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.576 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 2.1 t70 88.05 24.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' O ' ' O ' ' A' ' 19' ' ' GLU . 44.2 t -150.76 91.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.556 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -65.89 158.99 72.97 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.556 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 32.8 Cg_endo -65.02 153.55 77.78 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.335 3.357 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 60.43 51.3 59.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.526 1.141 . . . . 0.0 110.985 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 85.6 m -121.3 136.56 25.91 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.059 0.933 . . . . 0.0 110.434 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.818 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 46.5 Cg_endo -67.96 125.81 13.63 Favored 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 124.344 3.363 . . . . 0.0 109.62 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.522 ' CH2' ' HD2' ' A' ' 46' ' ' LYS . 71.5 t-105 -49.4 -25.81 2.78 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 96.5 p -68.98 -45.11 71.47 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.818 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 3.4 tt0 -66.28 -35.42 80.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 40.3 t -45.45 116.56 3.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 39.1 Cg_exo -55.87 171.07 0.82 Allowed 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.326 3.351 . . . . 0.0 109.576 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 11.1 t70 -95.97 117.52 30.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.517 ' O ' ' C ' ' A' ' 37' ' ' PHE . 0.9 OUTLIER 157.24 -58.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.334 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.592 ' O ' HD23 ' A' ' 38' ' ' LEU . 69.4 t80 -26.72 128.0 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.789 HD22 ' O ' ' A' ' 44' ' ' LEU . 41.9 mt -126.95 140.99 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.606 ' O ' ' N ' ' A' ' 43' ' ' SER . 4.8 t -54.8 115.84 9.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 108.277 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -51.82 -8.28 0.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.258 0 C-N-CA 124.256 3.304 . . . . 0.0 109.599 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 39' ' ' CYS . 18.7 mm-40 -119.97 -49.31 2.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.654 ' O ' ' C ' ' A' ' 43' ' ' SER . 12.8 p -121.71 44.22 2.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 108.228 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.654 ' C ' ' O ' ' A' ' 42' ' ' CYS . 5.1 m 11.97 -88.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.789 ' O ' HD22 ' A' ' 38' ' ' LEU . 5.1 tp 90.06 -163.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -139.72 12.91 3.17 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.522 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.8 OUTLIER 70.84 19.41 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 0.757 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -112.4 37.26 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.758 ' HB ' HD21 ' A' ' 44' ' ' LEU . 15.5 t -151.41 -56.44 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 48' ' ' VAL . 7.3 m-85 -27.58 140.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.975 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -127.42 -173.51 2.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.283 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 4' ' ' MET . 3.7 mm-40 72.74 -147.79 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.305 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.656 HD12 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -148.22 -171.05 3.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 109.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.677 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -158.08 177.91 10.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 7.3 t 74.9 127.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.107 . . . . 0.0 109.932 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -56.57 159.4 3.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.66 177.4 9.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.631 ' H1 ' ' HA ' ' A' ' 55' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.839 ' HB3' HD12 ' A' ' 52' ' ' LEU . 74.2 Cg_endo -93.45 165.67 2.34 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.323 3.348 . . . . 0.0 109.607 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.424 ' O ' ' CD ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -140.02 172.18 13.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.294 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.685 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 4.2 mtp -136.59 177.0 8.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.448 ' NE2' ' OE1' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -161.11 148.41 15.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 110.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.97 128.07 46.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.276 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.3 p -81.51 51.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.016 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' HB ' ' SG ' ' A' ' 42' ' ' CYS . 85.2 t -139.79 -59.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 3.5 p -106.63 -17.75 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 108.248 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.492 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 2.4 tp-100 71.4 68.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.438 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 41.7 t90 -116.67 111.39 19.76 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.408 ' HA ' ' O ' ' A' ' 4' ' ' MET . 8.7 mt -79.25 119.06 27.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.4 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 20.1 t80 -92.03 104.03 16.48 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 115.019 -0.991 . . . . 0.0 109.824 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.465 ' HB3' ' CD ' ' A' ' 17' ' ' LYS . 7.1 t0 -102.44 109.27 60.19 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.528 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 72.1 Cg_exo -53.7 -17.56 10.29 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.28 3.32 . . . . 0.0 109.595 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.9 -28.95 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' CD ' ' HB3' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -127.74 -45.65 1.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 50.84 -145.24 10.86 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 22' ' ' GLN . 4.3 mm-40 -134.06 57.7 26.23 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-O 122.093 0.949 . . . . 0.0 110.31 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.457 ' CD ' ' N ' ' A' ' 19' ' ' GLU . 5.9 Cg_endo -45.55 -23.87 1.59 Allowed 'Trans proline' 0 N--CA 1.447 -1.218 0 C-N-CA 124.353 3.369 . . . . 0.0 109.579 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.55 19.54 3.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.635 ' O ' HG23 ' A' ' 24' ' ' VAL . 6.6 tt0 -138.72 34.73 2.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 22' ' ' GLN . 5.8 m-20 64.1 22.4 12.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 22' ' ' GLN . 13.9 t -138.76 93.22 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.808 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -72.39 166.32 42.85 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.808 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 38.2 Cg_endo -67.49 141.67 56.57 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.27 3.313 . . . . 0.0 109.623 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 75.74 49.05 9.31 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.563 HG23 ' HD2' ' A' ' 29' ' ' PRO . 4.5 m -119.68 139.2 27.62 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.058 0.932 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.738 ' HG2' ' CG ' ' A' ' 32' ' ' GLU . 54.2 Cg_endo -69.79 121.94 8.62 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.28 3.32 . . . . 0.0 109.582 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.685 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 59.5 t-105 -47.16 -25.57 0.92 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 108.0 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.424 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.5 OUTLIER -64.56 -47.97 76.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.997 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.738 ' CG ' ' HG2' ' A' ' 29' ' ' PRO . 68.7 mt-10 -64.46 -37.17 86.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.1 t -45.48 108.89 0.84 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.428 ' C ' ' N ' ' A' ' 36' ' ' ASN . 31.4 Cg_exo -57.99 122.6 11.99 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.335 3.357 . . . . 0.0 109.615 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.446 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 15.7 t70 -40.55 -29.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' N ' ' C ' ' A' ' 34' ' ' PRO . 0.7 OUTLIER -46.77 -25.05 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.989 ' O ' HD23 ' A' ' 38' ' ' LEU . 54.6 t80 -65.15 134.91 54.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.989 HD23 ' O ' ' A' ' 37' ' ' PHE . 24.7 mt -139.89 127.36 21.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' O ' ' HA ' ' A' ' 43' ' ' SER . 30.8 t -41.88 129.88 2.52 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 108.293 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 54.2 Cg_endo -72.4 0.21 7.77 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.303 3.335 . . . . 0.0 109.604 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -124.45 -36.67 2.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.312 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.68 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 9.0 p -141.88 42.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.632 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.2 m 18.42 -94.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.965 HD21 ' HB ' ' A' ' 48' ' ' VAL . 6.1 tp 90.84 151.2 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -97.4 33.38 5.87 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.441 1.088 . . . . 0.0 110.974 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.583 ' HD2' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 46.15 24.9 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.27 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' N ' ' C ' ' A' ' 45' ' ' GLY . 2.6 p-10 -113.84 34.45 4.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.965 ' HB ' HD21 ' A' ' 44' ' ' LEU . 2.8 t -149.07 -56.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.62 ' HD1' HD23 ' A' ' 44' ' ' LEU . 5.1 m-85 -25.92 137.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 3.2 mt-10 -144.99 112.12 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 110.266 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.569 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.6 OUTLIER 161.42 -169.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.839 HD12 ' HB3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -122.74 162.9 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.689 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -149.95 -179.18 6.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.511 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 28.9 t 66.91 125.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.631 ' HA ' ' H1 ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -77.33 94.02 4.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.288 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.45 -60.36 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.497 ' HB2' ' CB ' ' A' ' 52' ' ' LEU . 61.2 Cg_endo -93.3 158.74 2.53 Favored 'Trans proline' 0 N--CA 1.448 -1.206 0 C-N-CA 124.29 3.327 . . . . 0.0 109.61 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.569 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -140.76 142.69 34.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 -179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.737 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 1.1 mtt -86.42 175.4 8.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 4' ' ' MET . 1.3 mt-30 -145.88 101.96 3.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.401 ' SG ' ' N ' ' A' ' 10' ' ' GLN . 10.4 p -53.91 129.62 34.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 108.249 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 m -84.84 43.77 1.02 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 42' ' ' CYS . 75.4 t -135.52 -64.26 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -120.11 19.88 12.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 108.356 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.401 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER 38.81 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 43.4 t90 -122.83 115.75 22.51 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.977 -1.119 . . . . 0.0 107.977 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mt -78.72 136.65 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.5 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 30.7 t80 -115.6 99.19 7.16 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.013 -0.994 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 18' ' ' GLY . 0.2 OUTLIER -95.66 111.46 55.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.501 ' O ' ' CB ' ' A' ' 26' ' ' PRO . 52.7 Cg_exo -52.76 -20.23 12.34 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.313 3.342 . . . . 0.0 109.621 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.499 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -79.65 -6.42 57.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.499 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -139.85 -67.84 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 48.62 -129.78 21.14 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.459 1.099 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.465 ' C ' ' H ' ' A' ' 21' ' ' MET . 5.9 mm-40 -145.14 80.87 10.85 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 122.055 0.931 . . . . 0.0 110.281 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.653 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 15.0 Cg_exo -71.04 11.13 0.56 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 124.327 3.352 . . . . 0.0 109.619 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.653 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -126.8 24.26 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 111.03 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.518 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 8.9 tt0 -140.08 14.13 2.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 1.8 t70 84.42 34.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.2 t -150.63 87.99 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.854 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -69.99 167.83 22.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.854 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 33.2 Cg_endo -65.39 156.97 60.52 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.346 3.364 . . . . 0.0 109.592 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.02 56.1 15.74 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.591 1.182 . . . . 0.0 110.993 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.504 HG23 ' HD2' ' A' ' 29' ' ' PRO . 99.8 m -115.85 139.88 25.48 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 122.114 0.959 . . . . 0.0 110.372 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.812 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 50.8 Cg_endo -67.22 110.32 1.97 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.317 3.345 . . . . 0.0 109.582 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.737 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 69.9 t-105 -44.01 -27.69 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 108.03 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' N ' ' C ' ' A' ' 29' ' ' PRO . 55.9 p -65.32 -48.65 72.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.999 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.812 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 22.0 tt0 -62.92 -38.02 89.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.541 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 54.1 t -42.65 131.59 2.95 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.541 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 7.8 Cg_exo -71.48 116.64 4.78 Favored 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.317 3.345 . . . . 0.0 109.593 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -43.44 -27.29 0.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' N ' ' C ' ' A' ' 34' ' ' PRO . 1.1 t30 -51.12 -34.94 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.994 ' O ' HD23 ' A' ' 38' ' ' LEU . 22.0 t80 -60.03 146.5 42.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.994 HD23 ' O ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -149.01 148.41 29.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 t -55.34 114.8 7.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 108.253 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' O ' ' OE2' ' A' ' 41' ' ' GLU . 50.0 Cg_endo -72.79 76.68 2.4 Favored 'Trans proline' 0 N--CA 1.446 -1.286 0 C-N-CA 124.299 3.333 . . . . 0.0 109.61 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.455 ' OE2' ' O ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 168.13 -29.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.296 -179.892 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.624 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 14.1 p -139.93 -46.56 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 108.26 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' ' 42' ' ' CYS . 1.8 t 94.95 160.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.026 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.811 HD21 ' HB ' ' A' ' 48' ' ' VAL . 0.6 OUTLIER -174.16 154.67 2.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.353 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -82.61 8.97 60.43 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.655 ' H ' HD23 ' A' ' 44' ' ' LEU . 1.7 mmmp? 71.25 10.22 6.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.847 ' O ' HG23 ' A' ' 48' ' ' VAL . 58.7 p30 -110.65 54.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 47' ' ' ASP . 7.7 t -164.36 -48.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.596 ' HD1' HD22 ' A' ' 44' ' ' LEU . 1.6 m-85 -27.89 141.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.489 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 2.8 mm-40 -50.42 -104.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.623 ' O ' HD12 ' A' ' 52' ' ' LEU . 10.0 pt-20 163.84 65.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.623 HD12 ' O ' ' A' ' 51' ' ' GLU . 1.0 OUTLIER -150.45 87.42 1.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 2' ' ' PRO . . . -148.87 168.73 22.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.345 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 53' ' ' ALA . 46.8 p 53.38 -97.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.976 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 78.76 110.17 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -149.55 -176.02 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 55' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.7 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 91.7 Cg_endo -94.17 132.55 0.72 Allowed 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 124.264 3.309 . . . . 0.0 109.61 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.554 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.56 144.88 48.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.318 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.816 ' HE1' ' CG ' ' A' ' 30' ' ' TRP . 0.4 OUTLIER -98.36 148.23 23.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -130.55 125.04 33.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.548 ' HB3' HD22 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -78.72 131.67 36.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 108.32 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.5 p -80.28 54.35 1.97 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.971 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.2 t -148.07 -58.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.7 p -108.73 -33.86 6.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 80.59 63.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.411 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 68.3 t90 -105.15 110.64 23.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 108.002 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' CG2' ' HG3' ' A' ' 3' ' ' ARG . 2.4 mt -73.94 121.43 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.626 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 53.2 t80 -91.17 79.81 5.69 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.848 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 18' ' ' GLY . 45.3 t0 -66.19 110.62 4.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.514 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 39.8 Cg_exo -60.91 -29.15 87.52 Favored 'Trans proline' 0 N--CA 1.448 -1.192 0 C-N-CA 124.33 3.353 . . . . 0.0 109.548 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -64.68 -16.23 62.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' O ' ' HD3' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -134.29 -80.11 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 76.04 -133.19 13.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -139.5 61.3 19.15 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.093 0.949 . . . . 0.0 110.29 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 10.6 Cg_endo -49.81 -19.92 4.19 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.323 3.349 . . . . 0.0 109.592 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.486 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -91.82 20.75 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.027 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.445 ' OE1' ' CD2' ' A' ' 37' ' ' PHE . 6.1 tt0 -138.66 28.85 2.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.152 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 70.07 26.91 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.7 t -142.13 89.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.905 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -74.24 169.38 19.56 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.905 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 37.3 Cg_endo -67.34 162.27 39.48 Favored 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.315 3.343 . . . . 0.0 109.627 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 51.98 60.5 7.49 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.554 1.159 . . . . 0.0 111.013 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.527 ' CG2' ' HD2' ' A' ' 29' ' ' PRO . 5.2 m -127.89 140.86 39.36 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-O 122.064 0.935 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.78 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 73.2 Cg_endo -75.6 122.64 7.04 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.321 3.348 . . . . 0.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.816 ' CG ' ' HE1' ' A' ' 4' ' ' MET . 68.6 t-105 -46.97 -30.96 2.86 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -62.41 -40.44 96.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.003 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.78 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 5.4 tt0 -71.66 -37.3 70.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.7 t -43.05 120.93 2.91 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -55.86 161.24 8.57 Favored 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.279 3.319 . . . . 0.0 109.615 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' HA ' ' CE ' ' A' ' 46' ' ' LYS . 2.3 p30 -89.24 17.22 6.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -110.87 30.31 6.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.445 ' CD2' ' OE1' ' A' ' 22' ' ' GLN . 46.5 t80 -117.54 129.21 55.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.6 mt -131.88 139.72 48.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.516 ' CB ' ' O ' ' A' ' 43' ' ' SER . 28.6 t -51.28 129.25 32.01 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.4 0.71 7.67 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.311 3.341 . . . . 0.0 109.619 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -122.7 -37.72 2.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 110.33 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.631 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 8.0 p -145.84 44.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.59 ' C ' ' O ' ' A' ' 42' ' ' CYS . 4.1 p 22.97 -96.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.967 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD23 ' CD1' ' A' ' 49' ' ' PHE . 10.6 tp 95.0 144.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.45 ' C ' ' N ' ' A' ' 47' ' ' ASP . . . -90.64 42.15 2.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.446 1.091 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.8 mtmp? 39.48 30.0 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 0.733 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.832 ' O ' HG23 ' A' ' 48' ' ' VAL . 9.0 t70 -133.78 54.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.832 HG23 ' O ' ' A' ' 47' ' ' ASP . 9.0 t -164.03 -50.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.778 ' CD1' HD23 ' A' ' 44' ' ' LEU . 12.1 m-85 -33.1 150.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.429 1.081 . . . . 0.0 110.949 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.452 ' O ' ' O ' ' A' ' 49' ' ' PHE . 3.5 mm-40 -55.35 -113.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 110.273 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.464 ' HA ' ' SD ' ' A' ' 4' ' ' MET . 5.4 pt-20 176.3 47.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.657 HD22 ' HB3' ' A' ' 2' ' ' PRO . 3.6 mt -134.21 94.51 3.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.7 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -146.97 158.36 43.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 t 60.22 112.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 1' ' ' GLY . 27.2 tt0 -71.33 124.86 25.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -89.27 -64.86 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 mttt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.939 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.663 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 60.0 Cg_endo -93.44 151.97 2.43 Favored 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.254 3.303 . . . . 0.0 109.566 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -122.11 144.45 48.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.643 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 11.7 mtp -101.08 137.11 39.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.41 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -119.97 118.54 30.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -79.55 136.49 36.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 108.318 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.427 ' C ' HG23 ' A' ' 8' ' ' VAL . 94.8 p -95.99 59.77 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.993 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' C ' ' A' ' 7' ' ' SER . 24.3 t -152.7 -60.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 17.3 p -110.16 -17.38 13.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.272 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.482 ' HB3' ' O ' ' A' ' 9' ' ' CYS . 3.2 tp-100 70.23 78.83 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 30.4 t90 -126.4 108.05 10.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 107.981 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' MET . 23.0 mt -76.42 115.63 18.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.473 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 34.5 t80 -90.26 94.64 9.84 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.004 -0.998 . . . . 0.0 109.811 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 18' ' ' GLY . 2.5 p30 -86.26 113.71 53.61 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.583 ' HG2' ' O ' ' A' ' 2' ' ' PRO . 63.3 Cg_exo -53.49 -23.96 26.73 Favored 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 124.285 3.323 . . . . 0.0 109.653 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' C ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.42 -16.34 62.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' CD ' ' C ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -136.51 -71.96 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.234 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 62.38 -108.17 1.95 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' MET . 4.1 mm-40 -154.99 81.09 4.25 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 122.031 0.919 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.686 ' HG2' ' HE2' ' A' ' 21' ' ' MET . 86.5 Cg_endo -73.63 9.18 1.65 Allowed 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 124.324 3.349 . . . . 0.0 109.569 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.686 ' HE2' ' HG2' ' A' ' 20' ' ' PRO . 14.5 mmt -129.21 23.08 5.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 111.026 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.547 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 5.7 tt0 -136.3 12.4 3.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.547 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.0 t70 85.88 28.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.68 90.02 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.58 157.44 87.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HA ' ' O ' ' A' ' 15' ' ' PRO . 73.6 Cg_exo -48.44 170.01 0.07 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.317 3.344 . . . . 0.0 109.61 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 37.43 60.56 1.13 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.986 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.4 m -121.74 110.99 33.1 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.116 0.96 . . . . 0.0 110.387 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' SER . 91.0 Cg_exo -46.33 120.2 3.61 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.281 3.32 . . . . 0.0 109.634 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.624 ' CD2' ' HE1' ' A' ' 4' ' ' MET . 68.3 t-105 -46.1 -27.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 107.999 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.3 OUTLIER -69.26 -45.05 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 29' ' ' PRO . 0.2 OUTLIER -65.18 -36.04 82.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.8 t -45.09 120.33 4.36 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.26 165.43 3.03 Favored 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.321 3.347 . . . . 0.0 109.598 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -90.38 17.74 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.9 25.96 10.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.725 ' O ' HD23 ' A' ' 38' ' ' LEU . 30.1 t80 -118.92 132.14 56.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.725 HD23 ' O ' ' A' ' 37' ' ' PHE . 1.3 mt -143.67 141.33 30.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.454 ' C ' ' O ' ' A' ' 38' ' ' LEU . 0.1 OUTLIER -37.02 128.07 0.77 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.464 1.103 . . . . 0.0 108.299 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -80.14 3.03 7.98 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.315 3.343 . . . . 0.0 109.629 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -138.14 8.36 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.753 ' O ' ' SG ' ' A' ' 42' ' ' CYS . 0.6 OUTLIER 179.25 43.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.668 ' C ' ' O ' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -9.0 119.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' HD22 ' A' ' 38' ' ' LEU . 82.3 mt -118.99 171.85 7.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.113 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.09 17.52 51.86 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 30' ' ' TRP . 2.5 mtmp? 66.47 30.18 8.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.49 ' C ' HG23 ' A' ' 48' ' ' VAL . 2.9 t70 -131.43 48.98 2.36 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.531 1.144 . . . . 0.0 109.309 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 47' ' ' ASP . 98.6 t -156.45 -59.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' LEU . 11.2 m-85 -33.16 137.05 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 51' ' ' GLU . 18.3 mt-10 -48.05 -98.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' CB ' ' O ' ' A' ' 50' ' ' GLU . 4.6 tt0 158.92 85.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.262 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.598 HD22 ' HB3' ' A' ' 2' ' ' PRO . 4.7 mt -169.18 85.64 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.663 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -142.26 173.3 11.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.52 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 1.5 t 61.16 137.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.008 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.35 114.33 19.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.233 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -133.12 -65.89 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.753 ' HG2' ' C ' ' A' ' 53' ' ' ALA . 70.5 Cg_endo -93.99 140.82 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.214 0 C-N-CA 124.319 3.346 . . . . 0.0 109.563 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.406 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -121.46 137.56 54.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.601 ' SD ' ' CE3' ' A' ' 30' ' ' TRP . 5.5 mtp -102.59 161.4 13.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' CG ' HG12 ' A' ' 12' ' ' ILE . 7.2 mt-30 -142.2 150.05 40.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.69 129.83 45.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 108.307 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.92 51.97 1.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.452 1.095 . . . . 0.0 110.004 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -143.6 -56.73 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 2.7 p -109.35 -32.73 7.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.297 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 83.93 57.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' GLN . 69.0 t90 -100.55 128.68 46.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 108.025 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.482 HG12 ' CG ' ' A' ' 5' ' ' GLN . 4.0 mt -87.01 131.53 34.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.404 ' O ' ' HD3' ' A' ' 15' ' ' PRO . 34.2 t80 -103.6 98.47 8.35 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.834 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 18' ' ' GLY . 38.6 m-20 -93.37 112.97 58.78 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 27' ' ' GLY . 53.1 Cg_exo -54.44 -22.48 27.54 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.304 3.336 . . . . 0.0 109.602 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.93 -12.28 61.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.362 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -138.51 -68.02 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' ASP . . . 69.72 -131.11 23.48 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.522 1.139 . . . . 0.0 111.002 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 22' ' ' GLN . 5.5 mm-40 -145.33 77.52 12.72 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-O 122.114 0.959 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.503 ' HB2' ' CE ' ' A' ' 21' ' ' MET . 54.0 Cg_exo -55.71 172.12 0.58 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.318 3.345 . . . . 0.0 109.612 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.503 ' CE ' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER 52.22 26.5 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.132 . . . . 0.0 111.005 -179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 23' ' ' ASP . 3.8 tt0 -137.04 10.49 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.501 ' CB ' ' O ' ' A' ' 22' ' ' GLN . 3.2 t0 82.69 13.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 t -138.13 91.78 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.845 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -81.59 167.22 32.95 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.845 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 18.3 Cg_endo -59.88 149.37 84.05 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.318 3.346 . . . . 0.0 109.588 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 64.58 51.47 51.71 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.516 1.135 . . . . 0.0 110.991 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 16.1 m -121.45 134.88 24.66 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-O 122.061 0.934 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.764 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 66.0 Cg_endo -76.81 128.57 10.17 Favored 'Trans proline' 0 N--CA 1.446 -1.268 0 C-N-CA 124.304 3.336 . . . . 0.0 109.622 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.601 ' CE3' ' SD ' ' A' ' 4' ' ' MET . 71.9 t-105 -49.31 -29.55 6.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 0.0 108.052 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 76.1 p -65.72 -35.87 81.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.764 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 24.9 tt0 -75.46 -34.6 60.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -44.29 112.78 1.47 Allowed Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.71 112.64 1.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.349 3.366 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.485 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 4.2 m-20 -42.51 115.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.548 ' O ' ' CD2' ' A' ' 38' ' ' LEU . 3.8 t30 157.07 -58.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.543 ' C ' ' O ' ' A' ' 36' ' ' ASN . 55.6 t80 -24.37 134.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' CD2' ' O ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -132.2 139.59 48.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.349 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' HA ' ' A' ' 43' ' ' SER . 12.8 t -49.35 128.79 17.42 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 108.281 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.99 -0.07 9.02 Favored 'Trans proline' 0 N--CA 1.448 -1.205 0 C-N-CA 124.257 3.305 . . . . 0.0 109.59 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -124.45 -36.13 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 3.9 p -139.17 42.91 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.637 ' C ' ' O ' ' A' ' 42' ' ' CYS . 40.6 p -16.25 123.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.987 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.527 ' O ' HD22 ' A' ' 38' ' ' LEU . 2.3 tp -122.64 -176.15 3.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.72 -0.44 57.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.802 ' HZ2' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER 74.49 10.89 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 0.754 . . . . 0.0 109.335 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.506 ' C ' HG23 ' A' ' 48' ' ' VAL . 14.5 t0 -102.37 39.63 1.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 ' O ' ' C ' ' A' ' 49' ' ' PHE . 91.3 t -156.98 -56.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' A' ' 48' ' ' VAL . 2.1 m-85 -23.77 127.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -106.47 -145.43 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' A' ' 4' ' ' MET . 0.0 OUTLIER 42.39 -164.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.32 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 4' ' ' MET . 0.1 OUTLIER -137.51 -177.24 4.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' C ' ' HG2' ' A' ' 2' ' ' PRO . . . -143.66 -173.14 3.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.521 ' O ' ' CD ' ' A' ' 2' ' ' PRO . 11.9 t 65.9 127.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.988 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.81 127.25 33.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.267 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -106.16 -179.89 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.108 . . . . 0.0 109.272 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NH1' ' A' ' 3' ' ' ARG . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.928 ' CB ' HD23 ' A' ' 52' ' ' LEU . 97.8 Cg_endo -89.6 146.72 4.97 Favored 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.319 3.346 . . . . 0.0 109.593 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.56 ' N ' ' CD ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -128.79 147.33 50.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.838 ' SD ' ' HB2' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -107.76 153.7 22.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.994 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.472 ' CG ' HG12 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -129.2 144.69 51.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.482 ' CB ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -93.84 150.46 20.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.306 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.465 ' C ' HG23 ' A' ' 8' ' ' VAL . 60.0 p -97.72 57.47 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 7' ' ' SER . 57.4 t -154.58 -55.82 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 42' ' ' CYS . 1.5 p -105.66 -37.55 6.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 108.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER 84.18 58.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' HB2' ' SG ' ' A' ' 9' ' ' CYS . 56.3 t90 -102.56 135.98 43.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 107.997 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 HG12 ' CG ' ' A' ' 5' ' ' GLN . 49.7 mt -95.29 125.02 48.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' CD1' ' SD ' ' A' ' 4' ' ' MET . 39.9 t80 -95.77 99.41 11.24 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.01 -0.996 . . . . 0.0 109.883 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 8.4 m-20 -93.36 112.78 57.93 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.446 ' O ' ' N ' ' A' ' 27' ' ' GLY . 37.8 Cg_exo -59.45 -18.2 45.05 Favored 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.284 3.323 . . . . 0.0 109.583 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.47 ' O ' ' CD ' ' A' ' 17' ' ' LYS . . . -70.48 -16.47 62.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 16' ' ' ALA . 0.0 OUTLIER -137.8 -78.97 0.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 74.65 -147.7 37.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 22' ' ' GLN . 40.0 mm-40 -126.31 58.54 26.3 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-O 122.071 0.939 . . . . 0.0 110.317 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.519 ' HB2' ' HE3' ' A' ' 21' ' ' MET . 5.7 Cg_endo -46.27 -22.46 1.57 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.324 3.349 . . . . 0.0 109.562 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.519 ' HE3' ' HB2' ' A' ' 20' ' ' PRO . 0.0 OUTLIER -93.32 24.28 3.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' GLU . 7.1 tt0 -140.84 23.87 2.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.416 ' C ' ' CG2' ' A' ' 24' ' ' VAL . 0.5 OUTLIER 75.25 31.37 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 23' ' ' ASP . 15.8 t -152.08 95.07 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.616 ' HB1' ' HD2' ' A' ' 26' ' ' PRO . . . -85.97 167.75 22.6 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.616 ' HD2' ' HB1' ' A' ' 25' ' ' ALA . 44.2 Cg_exo -55.25 169.15 1.09 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.341 3.361 . . . . 0.0 109.56 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 40.01 60.31 1.92 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.649 HG23 ' HD2' ' A' ' 29' ' ' PRO . 18.2 m -121.83 141.96 35.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.084 0.945 . . . . 0.0 110.398 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.836 ' HG2' ' CB ' ' A' ' 32' ' ' GLU . 72.0 Cg_endo -75.56 112.53 3.54 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.321 3.347 . . . . 0.0 109.584 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.635 ' CD2' ' CE ' ' A' ' 4' ' ' MET . 67.0 t-105 -51.42 -21.56 2.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 108.015 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.439 ' N ' ' C ' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -76.13 -58.59 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.032 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.836 ' CB ' ' HG2' ' A' ' 29' ' ' PRO . 6.1 tt0 -59.9 -27.18 66.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 2.6 t -38.98 135.67 1.0 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 33' ' ' VAL . 35.3 Cg_exo -59.74 110.16 0.7 Allowed 'Trans proline' 0 N--CA 1.447 -1.229 0 C-N-CA 124.311 3.341 . . . . 0.0 109.667 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.492 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 8.2 m-20 -56.04 111.72 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.32 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.494 ' O ' ' C ' ' A' ' 37' ' ' PHE . 3.4 t30 156.87 -58.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.081 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.494 ' C ' ' O ' ' A' ' 36' ' ' ASN . 2.5 t80 -27.95 126.42 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 44' ' ' LEU . 67.4 mt -120.86 141.53 50.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.55 ' N ' ' O ' ' A' ' 43' ' ' SER . 10.0 t -50.25 129.54 24.06 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.429 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 56.2 Cg_endo -70.67 0.86 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.241 0 C-N-CA 124.349 3.366 . . . . 0.0 109.61 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -126.0 -38.3 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.707 ' HB3' ' HB3' ' A' ' 9' ' ' CYS . 12.0 p -141.13 46.04 1.75 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.146 . . . . 0.0 108.35 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.633 ' C ' ' O ' ' A' ' 42' ' ' CYS . 1.3 m 16.96 -88.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.034 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.728 HD22 ' CB ' ' A' ' 48' ' ' VAL . 9.7 mt 72.71 134.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.552 ' O ' ' CB ' ' A' ' 46' ' ' LYS . . . -51.81 -59.78 8.26 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.492 1.12 . . . . 0.0 110.988 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.59 ' HD3' ' CH2' ' A' ' 30' ' ' TRP . 0.0 OUTLIER 159.61 -43.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 0.763 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -69.25 -6.11 27.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.728 ' CB ' HD22 ' A' ' 44' ' ' LEU . 12.0 t -89.98 23.17 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 2.7 m-85 -121.17 161.02 22.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 51' ' ' GLU . 19.8 mm-40 -56.79 -112.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 50' ' ' GLU . 7.3 pt-20 164.43 54.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.31 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.928 HD23 ' CB ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -140.86 89.28 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.838 ' HB2' ' SD ' ' A' ' 4' ' ' MET . . . -155.2 163.24 40.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.512 ' O ' ' CB ' ' A' ' 55' ' ' GLU . 0.0 OUTLIER 65.94 -70.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.998 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.512 ' CB ' ' O ' ' A' ' 54' ' ' SER . 0.7 OUTLIER 86.8 101.39 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -166.0 -172.02 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_