data_1mp1_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 1mp1 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CB ' HD23 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.48 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 52' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.704 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.704 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.673 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.492 HD21 ' CG ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.476 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.3 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' N ' HG22 ' A' ' 116' ' ' ILE . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CG ' HD21 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.588 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.504 HG13 ' CB ' ' A' ' 92' ' ' PHE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.455 ' CB ' ' HE2' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.467 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.467 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.701 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.482 ' CD2' HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.478 ' CG ' ' HG3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.418 ' CD1' ' HE3' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.485 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.414 ' CG2' ' CD2' ' A' ' 124' ' ' LEU . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.414 ' CD2' ' CG2' ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' CB ' HD23 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 110' ' ' LEU . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 43' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 119' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 48' ' ' ILE . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.425 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 101' ' ' PHE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' CD2' ' A' ' 93' ' ' LEU . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' HD13 ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 71' ' ' ILE . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 83' ' ' LYS . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' CE1' ' A' ' 101' ' ' PHE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.54 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 48' ' ' ILE . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.48 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 2.8 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 117' ' ' ALA . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.593 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.544 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.544 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.467 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' GLY . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.408 HG13 HG23 ' A' ' 67' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.566 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.404 ' N ' ' C ' ' A' ' 81' ' ' ASP . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.463 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.719 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.458 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' HG11 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.52 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 119' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.516 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' CD2' ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CD2' ' HE3' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.473 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.515 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.429 ' CE ' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.442 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.429 HG21 ' CE ' ' A' ' 84' ' ' MET . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.715 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.481 ' CD2' HG23 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.484 ' CD1' ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.48 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.52 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.452 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.435 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 119' ' ' ILE . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' CB ' HD23 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 48' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 48' ' ' ILE . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 49' ' ' LYS . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.429 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 56' ' ' VAL . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.717 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CE1' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.412 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 108' ' ' LEU . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.52 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.66 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.473 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.9 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 116' ' ' ILE . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 119' ' ' ILE . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 119' ' ' ILE . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.412 ' CB ' HD23 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG2' HD13 ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.545 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' A' ' 68' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.602 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.488 ' CG1' HG23 ' A' ' 56' ' ' VAL . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 71' ' ' ILE . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.725 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.725 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.488 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 117' ' ' ALA . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.407 ' CB ' HD22 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 43' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD2' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 119' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' CB ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.54 HG21 ' CZ ' ' A' ' 72' ' ' PHE . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 68' ' ' ILE . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.481 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.436 ' NE2' ' HG3' ' A' ' 99' ' ' ARG . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.481 HG22 ' CE ' ' A' ' 84' ' ' MET . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.483 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' HG12 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.436 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.7 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' MET . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.688 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.0 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 47' ' ' VAL . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 110' ' ' LEU . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.519 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 48' ' ' ILE . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 56' ' ' VAL . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 61' ' ' GLY . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 60' ' ' LEU . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.582 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.402 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 83' ' ' LYS . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.703 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.565 ' HE3' ' CE3' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 48' ' ' ILE . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.537 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.537 HD13 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' CG2' HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD1' HD11 ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.479 ' OD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.404 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.409 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.551 ' CE1' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.578 ' HE1' ' CE3' ' A' ' 106' ' ' TRP . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 102' ' ' MET . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.664 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 48' ' ' ILE . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.423 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.402 HD11 ' ND2' ' A' ' 115' ' ' ASN . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 37' ' ' LYS . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.527 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 105' ' ' LEU . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG22 ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 HG21 ' CD2' ' A' ' 93' ' ' LEU . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.457 ' CE1' HD23 ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.518 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.483 ' CE ' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.459 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.483 HG21 ' CE ' ' A' ' 84' ' ' MET . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.726 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.726 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.47 HG21 ' CD2' ' A' ' 124' ' ' LEU . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.5 ' CG ' HD22 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CE2' ' O ' ' A' ' 47' ' ' VAL . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.448 ' CB ' HD23 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD2' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.493 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.602 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CG2' HD22 ' A' ' 93' ' ' LEU . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.635 ' CG2' ' CE2' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.635 ' CE2' ' CG2' ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.438 ' CB ' ' HG3' ' A' ' 102' ' ' MET . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.475 HG21 ' CE ' ' A' ' 84' ' ' MET . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.655 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.48 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.681 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CD2' HG13 ' A' ' 48' ' ' ILE . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.0 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.719 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.719 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 52' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.454 ' HE2' ' CA ' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.477 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 65.4 m-20 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.497 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.467 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.3 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 123' ' ' PHE . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.417 ' CD2' HG22 ' A' ' 119' ' ' ILE . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 37' ' ' LYS . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.495 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.468 HG21 ' CG2' ' A' ' 71' ' ' ILE . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.599 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CE1' ' ND2' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.475 ' OE1' ' CA ' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.522 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.446 ' N ' ' C ' ' A' ' 81' ' ' ASP . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.584 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 70' ' ' PHE . 25.9 m120 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' A' ' 48' ' ' ILE . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 109' ' ' LEU . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.474 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.1 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 110' ' ' LEU . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' CB ' HG23 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 44' ' ' ASN . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.484 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.585 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.484 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 83' ' ' LYS . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.718 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.463 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.718 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.55 ' HE3' ' CE3' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 48' ' ' ILE . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' CB ' HD23 ' A' ' 110' ' ' LEU . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 75' ' ' LEU . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ARG . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.628 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 52' ' ' ILE . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' A' ' 52' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.443 ' HE1' ' CA ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 27.5 m-20 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.716 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.41 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.485 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.468 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 47' ' ' VAL . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 119' ' ' ILE . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.483 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.497 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CD1' HD11 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 HG13 ' CB ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' A' ' 52' ' ' ILE . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.598 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.522 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CB ' HG13 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.481 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.4 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.478 ' CG ' HD21 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.499 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.551 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.472 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.532 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' CB ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 72' ' ' PHE . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.601 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CA ' ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.596 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 81' ' ' ASP . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.514 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.527 ' CG2' ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.601 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.503 ' CB ' HG12 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 48' ' ' ILE . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.423 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.485 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 93' ' ' LEU . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' OD2' ' CD2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.472 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.512 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.592 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 22.3 m120 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.722 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.722 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.459 ' HE1' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.548 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 124' ' ' LEU . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 119' ' ' ILE . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' CG2' HD11 ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.408 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.507 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.644 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.592 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 81' ' ' ASP . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.718 ' CD1' ' CD2' ' A' ' 101' ' ' PHE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.437 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.644 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ARG . . . . . 0.465 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.718 ' CD2' ' CD1' ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 48' ' ' ILE . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.471 ' CG ' HD22 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 119' ' ' ILE . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 3.0 m-70 -79.22 -52.18 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.528 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -144.57 120.12 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.405 ' O ' ' OE1' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -85.55 145.03 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' HG ' ' CG2' ' A' ' 90' ' ' THR . 0.0 OUTLIER -164.22 -171.01 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -101.95 149.37 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.89 -167.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.79 -169.22 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.31 -38.85 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p -55.93 -20.17 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CB ' HD23 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.415 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 HG11 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.48 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.582 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.562 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 48' ' ' ILE . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.502 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' N ' HG21 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.527 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.496 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.417 ' CD1' HD11 ' A' ' 52' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.406 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.473 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.464 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.473 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.704 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.488 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.528 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.704 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.441 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.481 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.673 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.673 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.492 HD21 ' CG ' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.48 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.476 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.3 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' N ' HG22 ' A' ' 116' ' ' ILE . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' CG ' HD21 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.37 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 146.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 156.59 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -177.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.48 99.42 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.86 137.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 133.04 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.19 167.92 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 67.46 -67.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.654 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.501 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.1 mpp? -132.46 179.09 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.52 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.6 OUTLIER -179.37 124.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.205 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.97 -171.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -87.57 149.57 24.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -119.95 -176.51 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.67 -169.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -109.56 -30.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -66.21 -16.73 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.588 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG11 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 56' ' ' VAL . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.482 HG21 ' CD2' ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.44 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.499 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.504 HG13 ' CB ' ' A' ' 92' ' ' PHE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.56 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.438 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.455 ' CB ' ' HE2' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.467 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.467 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.701 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.549 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.482 ' CD2' HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.701 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.478 ' CG ' ' HG3' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.477 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.418 ' CD1' ' HE3' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.485 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.414 ' CG2' ' CD2' ' A' ' 124' ' ' LEU . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.414 ' CD2' ' CG2' ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -61.2 -72.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.21 112.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 143.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -79.62 174.54 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -46.29 128.95 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -170.72 104.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.4 mm -122.31 139.05 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 143.44 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -178.12 140.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.045 . . . . 0.0 110.377 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.422 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 1.9 m80 68.91 -58.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.636 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.422 ' SD ' ' HB3' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -169.1 156.28 7.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.482 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -146.24 141.64 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -165.63 -170.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -93.2 154.68 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.95 172.44 8.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.51 -168.22 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.79 -38.02 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t -57.94 -17.81 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' CB ' HD23 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.489 HG11 ' CD1' ' A' ' 110' ' ' LEU . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.492 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.493 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' HG23 ' A' ' 43' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG13 ' CG1' ' A' ' 119' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.574 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 48' ' ' ILE . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.425 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 101' ' ' PHE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' CD2' ' A' ' 93' ' ' LEU . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.433 ' CD1' HD13 ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' N ' HG23 ' A' ' 57' ' ' THR . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.56 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.407 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.476 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.48 HD13 ' CG2' ' A' ' 71' ' ' ILE . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.457 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.535 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.464 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.435 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.475 ' CG1' HD22 ' A' ' 28' ' ' LEU . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.643 HD11 ' CE1' ' A' ' 101' ' ' PHE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.468 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.58 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.643 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.495 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.54 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.665 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.665 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD2' HG13 ' A' ' 48' ' ' ILE . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.489 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.493 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.48 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 2.8 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.438 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 117' ' ' ALA . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' CD2' HG21 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.13 -58.62 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -51.0 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.71 138.35 58.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.19 166.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -43.67 137.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.59 123.21 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -93.63 127.36 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.627 1.205 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.415 ' HB3' ' HE1' ' A' ' 26' ' ' MET . 18.9 m80 52.88 -97.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 2.9 mpp? -134.04 -175.99 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.454 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -176.92 117.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -164.95 -172.39 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -87.77 154.04 20.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.495 ' CE2' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -122.35 -170.56 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.85 -169.63 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -108.48 -39.48 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m -55.98 -19.78 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.37 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.593 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG11 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.473 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.427 ' CG2' HD12 ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.544 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.583 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.544 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.467 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG13 ' CE2' ' A' ' 101' ' ' PHE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.576 ' O ' ' N ' ' A' ' 61' ' ' GLY . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CD1' HD11 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG11 ' CB ' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.408 HG13 HG23 ' A' ' 67' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.506 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.566 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.405 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.427 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.463 HG22 ' CE ' ' A' ' 84' ' ' MET . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.719 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.458 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.416 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' HG11 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.458 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.719 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.479 ' HE3' ' CB ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.486 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD1' HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.455 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.484 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.54 -69.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.39 -173.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 127.56 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 113.08 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 133.59 49.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 61.63 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.2 mp -86.17 142.11 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 131.16 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -136.26 166.54 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.404 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 49.07 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.504 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -39.37 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.522 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 4.1 mt-30 -137.7 149.41 46.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -166.67 -171.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.08 146.48 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.04 -174.33 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.12 -166.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 8.4 pt-20 -111.49 -34.96 5.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 44.8 t -60.98 -17.68 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.498 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.52 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 HG11 ' CD1' ' A' ' 119' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.49 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.576 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.49 HD12 ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.516 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.576 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.516 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' CD2' ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD13 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CD1' HD13 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.574 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.575 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.505 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.571 ' CD2' ' HE3' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.473 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.427 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.515 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.429 ' CE ' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.442 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 26' ' ' MET . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.715 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.479 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.433 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.575 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' CD2' HG23 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.715 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.491 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.491 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.484 ' CD1' ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.48 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.52 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.422 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.422 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.452 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.435 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 119' ' ' ILE . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 -37.34 -58.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.5 mt -40.19 123.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' GLU . 7.8 mttt -50.47 -70.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -40.34 98.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' LYS . 2.2 tt0 -67.62 121.34 15.68 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.19 58.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.7 mm -122.53 76.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.17 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.65 170.56 18.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.065 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.27 -61.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.492 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? -129.54 172.93 11.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.502 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -168.56 124.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.57 -171.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -90.73 152.43 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.87 -176.57 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 111.039 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.39 -170.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.384 1.053 . . . . 0.0 109.293 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.8 pt-20 -109.74 -28.73 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 31.2 t -64.96 -17.09 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.35 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' CB ' HD23 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.473 HG11 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.485 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG2' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 48' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.453 ' CD1' HG21 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.574 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.412 ' CD1' HG23 ' A' ' 48' ' ' ILE . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 49' ' ' LYS . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD21 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' N ' HG23 ' A' ' 57' ' ' THR . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.429 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.494 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 ' CG1' HG23 ' A' ' 56' ' ' VAL . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.406 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.451 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.499 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.412 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.717 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.492 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.555 ' CE1' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.717 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.412 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 108' ' ' LEU . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.52 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.66 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.66 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.466 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.473 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.472 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.467 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.9 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 117' ' ' ALA . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.412 ' N ' HG22 ' A' ' 116' ' ' ILE . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 119' ' ' ILE . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 126' ' ' LEU . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD23 HG23 ' A' ' 119' ' ' ILE . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.64 -53.53 30.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 122' ' ' ALA . 6.6 mt -40.52 -57.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 70.8 -68.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.01 135.69 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.3 87.78 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.19 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.4 137.43 56.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -118.45 106.63 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 149.91 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -91.7 153.74 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -42.48 -56.57 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.503 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -144.45 115.12 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -81.06 150.77 28.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -166.87 -168.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -103.26 145.84 29.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.476 ' CE1' ' CD ' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -123.09 -170.77 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.79 -171.66 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.57 -34.2 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 26.7 p -56.7 -19.52 17.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.61 1.194 . . . . 0.0 108.302 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.412 ' CB ' HD23 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.491 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG2' HD13 ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.545 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.572 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.536 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.545 HD13 ' CG2' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 HG23 ' CG1' ' A' ' 68' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' CD1' HD11 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.484 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.484 ' CD1' HD12 ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.602 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.488 ' CG1' HG23 ' A' ' 56' ' ' VAL . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.472 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.454 HD13 ' CG2' ' A' ' 71' ' ' ILE . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.476 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.42 HG21 ' O ' ' A' ' 26' ' ' MET . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.725 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.483 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.485 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.458 HD11 ' CD1' ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.725 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.516 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.427 ' CD1' HD22 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.472 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.488 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 117' ' ' ALA . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -43.43 -50.48 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.4 mt -52.62 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -47.08 129.64 12.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.2 60.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.09 53.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 62.66 129.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -90.99 129.41 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.412 ' N ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER 174.61 44.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.24 158.21 16.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 2.3 m-70 -56.89 -32.91 66.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.525 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.538 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -169.29 108.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.504 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 1.8 tp60 -84.04 154.92 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.52 ' CD1' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -168.81 -173.36 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 1.8 tttm -91.33 152.2 20.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -111.43 162.56 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.31 -170.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.84 -29.7 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -65.06 -26.92 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 108.323 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.407 ' CB ' HD22 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.484 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 43' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CD2' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.531 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 119' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.474 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.605 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD13 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.515 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.512 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' CE1' HD21 ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG12 ' CB ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.54 HG21 ' CZ ' ' A' ' 72' ' ' PHE . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.605 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.54 ' CZ ' HG21 ' A' ' 68' ' ' ILE . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.493 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.447 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.481 ' CE ' HG22 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.481 HG22 ' CE ' ' A' ' 84' ' ' MET . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.605 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.483 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.538 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.51 ' CB ' HG12 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.483 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.436 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.7 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 102' ' ' MET . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.503 ' CD1' ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.688 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.688 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.464 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.0 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 47' ' ' VAL . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.42 ' CD2' HG23 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.41 -71.6 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.51 111.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 115.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.46 156.99 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.18 173.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.237 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 131' ' ' ILE . 0.3 OUTLIER -109.64 80.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 132' ' ' LYS . 0.6 OUTLIER 55.86 164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 131' ' ' ILE . 6.3 mttt 60.48 150.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -147.45 145.48 29.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' CG ' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -135.16 -42.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.685 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.601 ' SD ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.33 -51.64 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.535 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 38.2 tp60 67.79 134.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -172.08 -170.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -89.06 152.58 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -123.46 -167.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.87 -166.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 12.7 pt-20 -110.35 -44.57 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 m -52.95 -21.79 4.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 HG13 ' CD1' ' A' ' 110' ' ' LEU . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.519 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.524 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.557 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.428 ' CD1' HG21 ' A' ' 48' ' ' ILE . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.453 ' O ' HG21 ' A' ' 56' ' ' VAL . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.477 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.579 ' O ' ' N ' ' A' ' 61' ' ' GLY . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.557 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.557 ' CE1' HD21 ' A' ' 60' ' ' LEU . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' N ' HG22 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.667 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.582 ' CE2' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.402 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.461 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.426 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.477 ' CG1' HD23 ' A' ' 28' ' ' LEU . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.703 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.473 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.703 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.565 ' HE3' ' CE3' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.475 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.677 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.677 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 48' ' ' ILE . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.428 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.519 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.437 ' CG2' HD22 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.437 HD22 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.74 -66.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 15.7 mt -49.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.09 98.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 48.77 76.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.29 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.03 80.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.64 115.2 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.36 100.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -40.0 117.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 1.1 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 80.77 -51.18 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.571 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -163.54 149.22 11.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 63.9 mm-40 -139.84 148.69 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.81 -171.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -95.71 160.54 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CD2' ' CD ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -106.65 171.17 7.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -79.37 -165.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -107.23 -9.39 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m -94.01 -23.09 18.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.385 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD22 ' A' ' 110' ' ' LEU . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.494 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' CD2' ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 ' CG2' HD13 ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.537 ' CG2' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.567 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.571 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.537 HD13 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.571 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' CG2' HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.479 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.466 ' CD1' HD11 ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.479 ' OD2' ' CD2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.538 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.404 ' N ' ' CG2' ' A' ' 67' ' ' VAL . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.472 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.616 ' CD ' ' CD2' ' A' ' 30' ' ' PHE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.409 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.525 ' O ' ' CG ' ' A' ' 26' ' ' MET . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.422 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.551 ' CE1' HG13 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.433 HD22 ' CG2' ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.403 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.504 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.578 ' HE1' ' CE3' ' A' ' 106' ' ' TRP . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 102' ' ' MET . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.514 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.664 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.664 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.423 ' O ' ' HB3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.47 ' CD2' HG13 ' A' ' 48' ' ' ILE . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.479 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.423 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.402 HD11 ' ND2' ' A' ' 115' ' ' ASN . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.64 -76.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.45 114.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -122.31 77.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -163.26 161.18 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 128' ' ' LYS . 7.4 tp10 33.0 90.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.247 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -161.64 136.23 7.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.4 mm -46.29 112.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.54 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.42 130.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 95.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 81.37 -50.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.523 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.99 109.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -83.13 147.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' CD1' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -162.43 -170.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.232 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.72 148.45 22.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.41 -155.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -108.19 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -114.74 -10.98 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m -90.28 -14.17 33.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 108.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.608 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD22 ' A' ' 110' ' ' LEU . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 HG12 ' C ' ' A' ' 37' ' ' LYS . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.488 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.527 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG23 ' CD1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 105' ' ' LEU . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.429 ' O ' HG22 ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 HG21 ' CD2' ' A' ' 93' ' ' LEU . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.457 ' CE1' HD23 ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.528 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.518 ' O ' ' CD1' ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.456 ' CZ ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.435 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.483 ' CE ' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.459 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.483 HG21 ' CE ' ' A' ' 84' ' ' MET . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.726 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.455 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CD2' ' OD2' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.726 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.442 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.702 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.506 HD22 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.464 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.47 HG21 ' CD2' ' A' ' 124' ' ' LEU . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.5 ' CG ' HD22 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.527 ' CE2' ' O ' ' A' ' 47' ' ' VAL . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.47 ' CD2' HG21 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.4 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -173.5 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -164.94 122.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.61 153.92 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 79.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -66.01 121.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.14 91.08 4.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.93 138.7 39.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 172.26 -42.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.531 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.5 mpp? -124.52 -63.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.8 OUTLIER 74.78 118.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.18 -173.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -82.01 148.74 28.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -96.02 -160.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -106.18 -159.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -18.25 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -18.96 23.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.51 ' HG ' ' CB ' ' A' ' 31' ' ' ALA . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.448 ' CB ' HD23 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' CD2' ' HD3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.493 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.602 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.493 HD12 ' CG2' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.521 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.483 ' CG2' HD22 ' A' ' 93' ' ' LEU . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.51 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.49 ' CD1' HD13 ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.573 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.635 ' CG2' ' CE2' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.465 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.635 ' CE2' ' CG2' ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.438 ' CB ' ' HG3' ' A' ' 102' ' ' MET . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.475 HG21 ' CE ' ' A' ' 84' ' ' MET . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.655 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.48 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.531 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 HD22 ' CG2' ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.48 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.426 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.655 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.421 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.51 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.681 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.681 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.491 ' CD2' HG13 ' A' ' 48' ' ' ILE . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.0 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -49.97 -63.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.09 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -89.11 129.94 35.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 134.08 55.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.31 139.43 47.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 136.82 58.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.36 133.2 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -86.22 165.01 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 169.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CD2' ' SD ' ' A' ' 26' ' ' MET . 16.7 p80 -112.94 39.53 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.612 ' SD ' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER 176.37 155.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.529 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 5.8 mt-30 -152.12 145.27 24.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.529 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -171.07 -171.88 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.609 1.193 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' O ' HD22 ' A' ' 28' ' ' LEU . 8.8 tttt -88.96 154.3 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -116.48 -170.88 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.73 -168.47 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -105.71 -44.83 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m -52.29 -22.1 4.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.258 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 HG11 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.521 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.442 HG23 ' CD1' ' A' ' 52' ' ' ILE . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 75' ' ' LEU . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.574 ' CD1' HD11 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.699 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.719 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.454 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.719 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.478 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 52' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.401 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.556 ' HD3' ' CD1' ' A' ' 30' ' ' PHE . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.454 ' HE2' ' CA ' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.477 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.497 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.488 ' CG1' HD21 ' A' ' 28' ' ' LEU . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.602 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 65.4 m-20 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 ' CD2' HG22 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.497 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.467 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.422 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.469 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.3 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.404 ' N ' ' CD1' ' A' ' 123' ' ' PHE . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LYS . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -42.66 -56.25 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.86 -35.62 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 124' ' ' LEU . 2.1 mmtm 64.96 45.01 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.37 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.63 74.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.29 -73.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 52.52 77.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mm -133.08 120.96 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.77 -72.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? 76.14 129.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 110.269 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 175.42 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.557 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.544 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -169.38 -90.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.488 ' CB ' ' O ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 86.15 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.31 -172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.415 ' O ' HD23 ' A' ' 28' ' ' LEU . 79.0 tttt -84.47 149.16 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -115.96 -178.17 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.47 -170.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -103.48 -43.9 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.7 -23.63 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.343 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 37' ' ' LYS . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.495 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.468 HG21 ' CG2' ' A' ' 71' ' ' ILE . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.435 ' O ' HG22 ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.469 HG23 ' CD2' ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD22 ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.599 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CE1' ' ND2' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.475 ' OE1' ' CA ' ' A' ' 74' ' ' GLN . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.418 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.522 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 70' ' ' PHE . 25.9 m120 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.694 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.544 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.694 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.455 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.67 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.67 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.455 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' HG13 ' A' ' 48' ' ' ILE . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.458 ' CD1' HG12 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 109' ' ' LEU . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.474 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.1 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.424 ' O ' ' CD1' ' A' ' 126' ' ' LEU . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -51.23 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.424 ' CD1' ' O ' ' A' ' 122' ' ' ALA . 14.9 mt -40.67 150.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -120.44 164.26 16.65 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -157.03 139.82 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.94 111.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.63 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 25.5 mm -119.91 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 63.01 93.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 141.71 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.48 ' ND1' ' N ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -99.47 169.76 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.503 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? 61.22 163.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -173.53 44.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' CD2' ' HA ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -82.71 -170.89 3.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -89.17 155.6 19.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE2' ' HB3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -117.19 -167.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.9 -165.9 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.57 -38.74 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p -55.16 -19.6 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.451 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 HG13 ' CD1' ' A' ' 110' ' ' LEU . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' CB ' HG23 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.442 HG23 ' CB ' ' A' ' 44' ' ' ASN . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.564 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.416 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.433 HG22 ' CG2' ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 HG21 ' CD2' ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.538 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.5 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.484 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.409 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.585 ' HB3' ' CH2' ' A' ' 106' ' ' TRP . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.486 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.484 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.499 ' HA ' ' CD2' ' A' ' 28' ' ' LEU . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.718 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.45 ' CG2' ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.461 ' CD2' HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.45 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.463 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.718 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.55 ' HE3' ' CE3' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.528 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.663 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.663 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 48' ' ' ILE . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.496 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.475 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 117' ' ' ALA . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 116' ' ' ILE . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.414 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.26 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.27 107.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 62.43 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -62.26 178.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.5 102.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.66 112.4 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 36.2 mm -120.51 67.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 109.24 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.89 155.09 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -170.89 149.02 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.392 1.057 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.461 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 71.53 -57.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -172.22 141.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 61.8 mm-40 -127.72 139.43 52.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.492 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -168.1 -169.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -103.05 156.55 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -120.32 -170.6 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.61 -169.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' LEU . 14.2 pt-20 -105.78 -46.52 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 31.8 m -48.98 -23.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 32' ' ' GLU . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' CB ' HD23 ' A' ' 110' ' ' LEU . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.456 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.415 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 52' ' ' ILE . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.565 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.502 HD13 ' CD1' ' A' ' 75' ' ' LEU . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.565 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 55' ' ' ARG . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.467 ' CD1' HD11 ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.553 HG12 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.628 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.47 ' CG2' HG23 ' A' ' 52' ' ' ILE . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' A' ' 52' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.432 ' OG ' ' HB3' ' A' ' 34' ' ' LEU . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.443 ' HE1' ' CA ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.509 ' O ' ' CG ' ' A' ' 26' ' ' MET . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 27.5 m-20 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.716 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.49 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 89' ' ' LEU . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.41 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.696 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 ' CB ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.474 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.485 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.468 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.421 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.416 ' CE2' ' O ' ' A' ' 47' ' ' VAL . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.468 ' CD2' HG22 ' A' ' 119' ' ' ILE . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -51.94 -68.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.01 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -177.4 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.82 174.48 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -38.98 143.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.45 75.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 mm -107.96 75.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 91.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 129.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' N ' ' HE3' ' A' ' 84' ' ' MET . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' C ' ' SD ' ' A' ' 26' ' ' MET . 67.3 m-70 -75.92 -2.34 29.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -135.62 -69.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.513 ' CB ' ' O ' ' A' ' 26' ' ' MET . 0.0 OUTLIER 87.8 125.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.54 -172.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -94.81 157.13 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.436 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -123.31 -169.63 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 111.039 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.67 -165.95 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.86 -42.35 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m -50.1 -24.12 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.572 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.433 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.483 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.446 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD22 ' CD ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.481 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' CE2' ' A' ' 123' ' ' PHE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.497 ' CG2' HD11 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.564 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.497 HD11 ' CG2' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.442 ' O ' HG22 ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.556 ' O ' ' N ' ' A' ' 61' ' ' GLY . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.476 HG22 ' CD2' ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.581 HD11 ' CD1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.581 ' CD1' HD11 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 HG13 ' CB ' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' CD1' ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.49 ' CG2' HG23 ' A' ' 52' ' ' ILE . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.598 ' CD1' ' HD3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.469 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.471 ' HB3' ' CG ' ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.427 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.522 ' OG ' ' CE ' ' A' ' 102' ' ' MET . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.467 ' HE3' ' N ' ' A' ' 24' ' ' SER . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.469 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 ' CG1' HD22 ' A' ' 28' ' ' LEU . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.727 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.484 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.458 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.509 ' CB ' HG13 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.727 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.496 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.493 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.51 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.481 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.4 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.433 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.478 ' CG ' HD21 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.433 ' CD2' HG22 ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -49.56 -66.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.3 mt -48.3 171.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -62.91 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.22 83.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.6 112.57 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.52 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.8 mm -116.35 95.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -79.74 75.5 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.16 136.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' C ' ' SD ' ' A' ' 26' ' ' MET . 10.1 m-70 -126.52 43.41 3.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.668 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 2.5 mpt? -152.69 -108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.55 ' CB ' ' O ' ' A' ' 26' ' ' MET . 0.4 OUTLIER 89.87 105.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -167.27 -171.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' HD22 ' A' ' 28' ' ' LEU . 29.8 ttmt -88.74 152.29 21.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -114.83 -168.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.44 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 11.0 pt-20 -108.24 -48.98 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 m -49.96 -23.97 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 108.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.499 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.485 ' CG2' ' HB2' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.551 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.472 HG13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.597 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.406 ' HB ' ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.532 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.532 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.474 HG22 ' CD2' ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.503 HG12 ' CB ' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.571 HG23 ' CE2' ' A' ' 72' ' ' PHE . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.601 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.579 ' CD2' ' HE3' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.477 ' CA ' ' OE1' ' A' ' 74' ' ' GLN . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.596 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.445 ' N ' ' C ' ' A' ' 81' ' ' ASP . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.527 ' HE1' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.514 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.527 ' CG2' ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.601 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.68 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.451 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' HA3' ' CG ' ' A' ' 26' ' ' MET . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.503 ' CB ' HG12 ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' CD2' HG22 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.68 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.414 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.458 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.465 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.669 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 48' ' ' ILE . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.474 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.485 ' HB2' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.423 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.424 ' CD2' HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -68.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.64 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -139.07 69.93 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -53.03 115.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.0 94.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.41 90.51 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.401 HD11 ' N ' ' A' ' 131' ' ' ILE . 4.7 mp -93.22 69.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.12 166.05 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -154.69 150.54 27.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.543 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 48.2 m80 49.18 -123.74 1.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.564 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.543 ' CE ' ' HB3' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -124.43 165.8 17.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.492 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 0.3 OUTLIER -139.49 143.99 37.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.81 -172.22 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -85.85 156.24 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CG ' ' CD ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -119.33 -171.16 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.43 ' CB ' ' HG ' ' A' ' 34' ' ' LEU . . . -85.37 -166.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 9.4 pt-20 -110.74 -35.55 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 73.8 m -65.79 -13.6 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' CB ' HD22 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.468 HG11 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.481 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' C ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' O ' ' HD3' ' A' ' 50' ' ' PRO . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.503 ' CG2' HD12 ' A' ' 52' ' ' ILE . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.575 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.485 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.503 HD12 ' CG2' ' A' ' 48' ' ' ILE . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.511 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.481 HG22 ' CD2' ' A' ' 93' ' ' LEU . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.511 ' CD1' ' O ' ' A' ' 56' ' ' VAL . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.492 ' CD1' HD12 ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' OD2' ' CD2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.529 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.592 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.472 ' HB3' ' CE ' ' A' ' 85' ' ' MET . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.575 ' CD ' ' CG ' ' A' ' 30' ' ' PHE . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.472 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.427 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.512 ' CG2' ' CE ' ' A' ' 84' ' ' MET . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.592 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 22.3 m120 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.722 ' CD1' ' CD1' ' A' ' 101' ' ' PHE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 86' ' ' GLN . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' CD2' HG22 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.722 ' CD1' ' CD1' ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.459 ' HE1' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.402 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.548 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.667 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.667 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD2' HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.468 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.466 ' CG2' HD22 ' A' ' 124' ' ' LEU . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 119' ' ' ILE . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -50.34 -58.21 6.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.23 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -91.25 -179.18 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.68 118.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -137.09 133.97 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.44 77.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.58 141.4 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -75.2 156.01 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -129.44 124.37 33.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.588 ' CD2' ' HE3' ' A' ' 26' ' ' MET . 2.1 p-80 -100.17 41.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.588 ' HE3' ' CD2' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -126.67 -169.96 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.509 ' C ' ' CD1' ' A' ' 28' ' ' LEU . 23.4 mm-40 83.87 110.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' CD1' ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -176.55 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -104.27 148.99 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.96 153.94 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -176.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -102.09 -31.12 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.76 -17.76 57.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.489 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG2' ' HB1' ' A' ' 112' ' ' ALA . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.549 ' HA ' ' CG ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' CG2' HD11 ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.408 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.59 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.507 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 53' ' ' THR . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.562 HD21 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.562 ' CE1' HD21 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.644 ' CG1' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 67' ' ' VAL . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.474 ' NE2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.417 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.592 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' N ' ' C ' ' A' ' 81' ' ' ASP . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.475 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 HG13 ' CD2' ' A' ' 28' ' ' LEU . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.718 ' CD1' ' CD2' ' A' ' 101' ' ' PHE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.498 ' CG2' ' HG ' ' A' ' 28' ' ' LEU . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' CA ' ' O ' ' A' ' 25' ' ' HIS . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.644 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.478 ' CD2' HG22 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' HA2' ' CG2' ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.419 ' O ' ' N ' ' A' ' 101' ' ' PHE . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.465 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.718 ' CD2' ' CD1' ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TRP . . . . . 0.675 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.675 ' CD ' ' N ' ' A' ' 106' ' ' TRP . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.404 ' CD2' HG13 ' A' ' 48' ' ' ILE . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 38' ' ' VAL . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB1' ' CG2' ' A' ' 43' ' ' VAL . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.431 HG21 ' CD2' ' A' ' 124' ' ' LEU . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.471 ' CG ' HD22 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 123' ' ' PHE . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.431 ' CD2' HG21 ' A' ' 119' ' ' ILE . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -43.35 -48.81 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.4 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.221 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -153.09 64.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -150.8 60.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.55 164.87 5.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -179.67 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 130' ' ' GLU . 15.0 mm 36.4 78.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 130.21 41.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.46 156.64 42.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.239 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.485 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.761 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.778 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.644 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 52' ' ' ILE . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.018 HG21 HD22 ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.947 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.748 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 89' ' ' LEU . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.734 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.539 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB2' ' CE ' ' A' ' 102' ' ' MET . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 87' ' ' ILE . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 71' ' ' ILE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.834 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.018 HD22 HG21 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.834 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.804 ' CE1' HD11 ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.977 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.781 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 13.1 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 121' ' ' SER . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.636 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.04 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.817 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 52' ' ' ILE . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.05 HG21 HD22 ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.95 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.84 HG12 HG21 ' A' ' 56' ' ' VAL . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.987 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.71 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.452 ' CB ' HD23 ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.599 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.597 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.743 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.987 HD21 HD11 ' A' ' 71' ' ' ILE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.796 HG23 ' HA2' ' A' ' 95' ' ' GLY . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.05 HD22 HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.796 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.67 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.568 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.96 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.931 ' N ' HD13 ' A' ' 105' ' ' LEU . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.796 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.616 HD13 ' HE1' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.7 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.627 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.738 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.518 ' HE1' HD13 ' A' ' 109' ' ' LEU . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.875 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.777 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.758 HG12 HG21 ' A' ' 56' ' ' VAL . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.015 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 40' ' ' MET . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' HE3' ' A' ' 84' ' ' MET . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.015 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.854 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.854 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG2' ' NE2' ' A' ' 86' ' ' GLN . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.867 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.917 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 105' ' ' LEU . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.792 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.4 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.459 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.588 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.787 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.439 HD21 HG22 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.904 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.466 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' HG22 ' A' ' 47' ' ' VAL . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 62' ' ' PHE . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.822 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.734 ' CE1' HD22 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' N ' HG23 ' A' ' 57' ' ' THR . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.737 HG12 HG21 ' A' ' 56' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.985 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.729 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.596 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 87' ' ' ILE . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.985 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.977 HG23 ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.822 HD22 HG21 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.977 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.853 ' CE1' HD11 ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.904 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.918 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.794 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.5 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.592 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.77 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.481 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.436 HD21 HG22 ' A' ' 119' ' ' ILE . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.573 HD23 ' N ' ' A' ' 34' ' ' LEU . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.761 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.065 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.065 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.711 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 59' ' ' ILE . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.75 HG21 HD13 ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.787 ' O ' HD12 ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.073 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.607 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 71' ' ' ILE . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.594 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 83' ' ' LYS . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.434 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 71' ' ' ILE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.668 HG23 ' HA2' ' A' ' 95' ' ' GLY . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.933 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD13 ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.3 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.478 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 125' ' ' GLU . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CB ' HD21 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG11 ' CG1' ' A' ' 119' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.74 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 56' ' ' VAL . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.809 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.67 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' C ' HD12 ' A' ' 68' ' ' ILE . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.931 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 64' ' ' ASP . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.75 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 71' ' ' ILE . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HB2' ' HE3' ' A' ' 85' ' ' MET . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.522 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 83' ' ' LYS . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 71' ' ' ILE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.747 HG23 ' HA2' ' A' ' 95' ' ' GLY . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.747 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 14.5 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.501 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.8 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 124' ' ' LEU . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 121' ' ' SER . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 34' ' ' LEU . 26.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' VAL . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.747 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.781 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.854 HG21 HD22 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 57' ' ' THR . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.048 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.547 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.679 ' O ' HD12 ' A' ' 87' ' ' ILE . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 83' ' ' LYS . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 71' ' ' ILE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.87 HG23 ' HA2' ' A' ' 95' ' ' GLY . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.87 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CE1' HD11 ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.916 ' N ' HD13 ' A' ' 105' ' ' LEU . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.791 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.781 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.489 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.4 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.528 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.781 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 124' ' ' LEU . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 121' ' ' SER . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.782 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.682 ' C ' HD12 ' A' ' 68' ' ' ILE . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.924 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 64' ' ' ASP . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.712 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.734 ' O ' HD12 ' A' ' 87' ' ' ILE . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.42 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' NE2' ' HG3' ' A' ' 99' ' ' ARG . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 83' ' ' LYS . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' A' ' 71' ' ' ILE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 1.016 HG23 ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 59' ' ' ILE . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 1.016 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.996 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.813 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.733 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 40' ' ' MET . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.813 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.7 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.542 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.733 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.519 HD21 HG22 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD23 ' N ' ' A' ' 34' ' ' LEU . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 39' ' ' ASP . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.685 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HB3' HG22 ' A' ' 47' ' ' VAL . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.05 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.05 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.838 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.872 ' HA ' HD12 ' A' ' 59' ' ' ILE . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' C ' ' A' ' 62' ' ' PHE . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.886 HG21 HD13 ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.667 ' C ' HG23 ' A' ' 57' ' ' THR . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' N ' HG23 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.785 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.714 HG23 ' HA2' ' A' ' 95' ' ' GLY . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 59' ' ' ILE . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.823 ' CE1' HD11 ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.547 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.867 ' N ' HD13 ' A' ' 105' ' ' LEU . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.8 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG2' HD21 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.753 ' HG3' HD23 ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 34' ' ' LEU . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.531 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.693 ' HE1' HD13 ' A' ' 109' ' ' LEU . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' CD1' ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.412 ' HA ' HG22 ' A' ' 56' ' ' VAL . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.776 ' HA ' HD12 ' A' ' 59' ' ' ILE . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.924 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.765 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.765 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.035 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.681 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.749 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.806 ' O ' HD12 ' A' ' 87' ' ' ILE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.463 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.035 HD21 HD11 ' A' ' 71' ' ' ILE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.835 HG23 ' HA2' ' A' ' 95' ' ' GLY . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.924 HD22 HG21 ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.835 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.3 m-80 -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.749 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.551 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.899 ' N ' HD13 ' A' ' 105' ' ' LEU . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.817 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.792 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.5 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.792 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' O ' ' NE1' ' A' ' 106' ' ' TRP . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.833 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 48' ' ' ILE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.695 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.79 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 52' ' ' ILE . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.604 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.975 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.74 HG12 HG21 ' A' ' 56' ' ' VAL . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.745 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.562 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.517 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.6 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' A' ' 71' ' ' ILE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.879 HG23 ' HA2' ' A' ' 95' ' ' GLY . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.879 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.814 ' CE1' HD11 ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.8 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.562 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD13 ' OG ' ' A' ' 82' ' ' SER . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD21 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.953 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.953 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 52' ' ' ILE . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.599 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.038 HD11 HD21 ' A' ' 89' ' ' LEU . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.471 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.703 ' OG ' HD13 ' A' ' 34' ' ' LEU . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.544 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 83' ' ' LYS . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 71' ' ' ILE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.972 HG23 ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.972 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.911 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.764 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.4 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.796 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 124' ' ' LEU . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 121' ' ' SER . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD21 ' A' ' 110' ' ' LEU . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.524 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.041 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 48' ' ' ILE . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HE2' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.934 HG21 HD22 ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.826 ' O ' HD12 ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 64' ' ' ASP . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.747 ' CE1' ' ND2' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.782 ' CE1' HG23 ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.685 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 71' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 87' ' ' ILE . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.415 ' HA ' ' HE3' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.747 ' ND2' ' CE1' ' A' ' 70' ' ' PHE . 10.9 m120 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.75 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.934 HD22 HG21 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.75 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.924 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.766 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 40' ' ' MET . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.1 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.663 HD11 HG11 ' A' ' 47' ' ' VAL . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.766 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.417 HD11 ' ND2' ' A' ' 115' ' ' ASN . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.591 HD23 ' N ' ' A' ' 34' ' ' LEU . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CB ' HD21 ' A' ' 110' ' ' LEU . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.715 ' HE1' HD13 ' A' ' 109' ' ' LEU . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.951 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 48' ' ' ILE . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.806 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.951 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.742 HG12 HG21 ' A' ' 56' ' ' VAL . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 106' ' ' TRP . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 87' ' ' ILE . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.628 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 79.9 m-20 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.849 HG23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD22 HG21 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.849 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.938 ' N ' HD13 ' A' ' 105' ' ' LEU . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.823 ' HA ' HD22 ' A' ' 110' ' ' LEU . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.775 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.715 HD13 ' HE1' ' A' ' 40' ' ' MET . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.9 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.43 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.558 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.775 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 124' ' ' LEU . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 121' ' ' SER . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.793 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.749 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.94 HG21 HD22 ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.868 ' O ' HD12 ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.925 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.952 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.742 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.614 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.786 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.813 ' O ' HD12 ' A' ' 87' ' ' ILE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.449 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.952 HD21 HD11 ' A' ' 71' ' ' ILE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.94 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.463 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.793 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.798 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.797 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 12.0 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.797 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 124' ' ' LEU . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 119' ' ' ILE . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' LYS . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.908 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.429 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 52' ' ' ILE . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.85 ' O ' HD12 ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.899 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 56' ' ' VAL . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.691 ' CZ ' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 74' ' ' GLN . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.62 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.628 ' HB2' ' CH2' ' A' ' 106' ' ' TRP . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.808 ' O ' HD12 ' A' ' 87' ' ' ILE . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.411 ' CA ' ' CE ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.691 ' ND2' ' CZ ' ' A' ' 70' ' ' PHE . 1.5 m120 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.729 HG23 ' HA2' ' A' ' 95' ' ' GLY . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 59' ' ' ILE . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.729 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.743 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.814 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.1 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.533 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.814 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.417 HD21 HG22 ' A' ' 119' ' ' ILE . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' A' ' 110' ' ' LEU . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' HD13 ' A' ' 109' ' ' LEU . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.013 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.791 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 62' ' ' PHE . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.879 HG21 HD22 ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' N ' HG23 ' A' ' 57' ' ' THR . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.818 ' O ' HD12 ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.949 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.956 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.632 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.724 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' CB ' HD23 ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.956 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.786 HG23 ' HA2' ' A' ' 95' ' ' GLY . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.879 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.786 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.878 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.919 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.826 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 17.0 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.521 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 34' ' ' LEU . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.699 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.043 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 48' ' ' ILE . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HD3' HD21 ' A' ' 45' ' ' LEU . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 52' ' ' ILE . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.832 HG21 HD22 ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.551 ' C ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.972 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 56' ' ' VAL . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.767 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CB ' HD23 ' A' ' 45' ' ' LEU . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.475 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.557 ' HE1' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.514 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.557 HG21 ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.731 HG23 ' HA2' ' A' ' 95' ' ' GLY . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.832 HD22 HG21 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.731 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' HB3' ' CZ ' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.797 ' CE1' HD11 ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.943 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.788 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.699 HD13 ' HE1' ' A' ' 40' ' ' MET . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.424 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 12.0 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.445 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.697 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 124' ' ' LEU . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.891 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.78 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.944 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 52' ' ' ILE . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 56' ' ' VAL . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.729 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.69 HG12 HG21 ' A' ' 56' ' ' VAL . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.059 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.611 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.572 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 83' ' ' LYS . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 78.1 m-20 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 71' ' ' ILE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.754 HG23 ' HA2' ' A' ' 95' ' ' GLY . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.754 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.569 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.961 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.912 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.777 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.494 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.9 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.616 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.574 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' SER . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CB ' HD21 ' A' ' 110' ' ' LEU . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE3' HD13 ' A' ' 109' ' ' LEU . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 1.014 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.723 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.024 HG21 HD22 ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.613 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.657 HG11 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.811 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 1.056 HD11 HD21 ' A' ' 89' ' ' LEU . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.747 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.668 HE22 ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 71' ' ' ILE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.657 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.024 HD22 HG21 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ARG . . . . . 0.668 ' HG3' HE22 ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.596 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TRP . . . . . 0.871 ' N ' HD13 ' A' ' 105' ' ' LEU . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 40' ' ' MET . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.9 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.541 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.595 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 124' ' ' LEU . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 121' ' ' SER . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 3.0 m-70 -79.22 -52.18 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.741 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -144.57 120.12 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.55 145.03 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -164.22 -171.01 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -101.95 149.37 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -119.89 -167.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -92.79 -169.22 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.31 -38.85 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p -55.93 -20.17 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.485 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.761 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.644 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 52' ' ' ILE . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.018 HG21 HD22 ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.947 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.748 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 89' ' ' LEU . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.734 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.539 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB2' ' CE ' ' A' ' 102' ' ' MET . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 87' ' ' ILE . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 26' ' ' MET . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 71' ' ' ILE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.834 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.528 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.018 HD22 HG21 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.834 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.804 ' CE1' HD11 ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.977 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.781 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 13.1 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.405 HD12 ' HA ' ' A' ' 121' ' ' SER . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.37 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 146.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 156.59 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -177.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.48 99.42 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.86 137.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 133.04 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.19 167.92 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.46 -67.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.654 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.501 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.1 mpp? -132.46 179.09 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.782 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -179.37 124.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.205 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.97 -171.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -87.57 149.57 24.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -119.95 -176.51 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.67 -169.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -109.56 -30.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -66.21 -16.73 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.712 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.636 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.04 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.817 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 52' ' ' ILE . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.05 HG21 HD22 ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.95 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.84 HG12 HG21 ' A' ' 56' ' ' VAL . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.987 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.71 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.452 ' CB ' HD23 ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.599 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.597 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.743 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.987 HD21 HD11 ' A' ' 71' ' ' ILE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.796 HG23 ' HA2' ' A' ' 95' ' ' GLY . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.05 HD22 HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.796 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.606 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.67 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.568 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.96 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.931 ' N ' HD13 ' A' ' 105' ' ' LEU . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.796 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.616 HD13 ' HE1' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.7 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.627 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.738 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -61.2 -72.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.21 112.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 143.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -79.62 174.54 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -46.29 128.95 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -170.72 104.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.4 mm -122.31 139.05 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 143.44 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -178.12 140.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.045 . . . . 0.0 110.377 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.2 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 1.9 m80 68.91 -58.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.636 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.423 ' SD ' ' HB3' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -169.1 156.28 7.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.741 ' C ' HD13 ' A' ' 28' ' ' LEU . 1.2 pm0 -146.24 141.64 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.801 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -165.63 -170.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -93.2 154.68 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -122.95 172.44 8.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -67.51 -168.22 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.79 -38.02 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t -57.94 -17.81 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.518 ' HE1' HD13 ' A' ' 109' ' ' LEU . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.875 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.777 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.758 HG12 HG21 ' A' ' 56' ' ' VAL . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.015 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 40' ' ' MET . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.402 ' HA ' ' HE3' ' A' ' 84' ' ' MET . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.015 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.854 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.854 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG2' ' NE2' ' A' ' 86' ' ' GLN . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.867 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.917 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 105' ' ' LEU . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.792 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.4 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.459 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.588 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.787 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.853 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.439 HD21 HG22 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.13 -58.62 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 122' ' ' ALA . 8.2 mt -51.0 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.71 138.35 58.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.19 166.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -43.67 137.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.59 123.21 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -93.63 127.36 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.627 1.205 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 26' ' ' MET . 18.9 m80 52.88 -97.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.506 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 2.9 mpp? -134.04 -175.99 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.663 ' C ' HD13 ' A' ' 28' ' ' LEU . 2.0 pp0? -176.92 117.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.777 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -164.95 -172.39 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 28' ' ' LEU . 10.2 ttmt -87.77 154.04 20.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -122.35 -170.56 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -79.85 -169.63 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -108.48 -39.48 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m -55.98 -19.78 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.37 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.904 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.451 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' HG22 ' A' ' 47' ' ' VAL . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 62' ' ' PHE . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.822 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.734 ' CE1' HD22 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' N ' HG23 ' A' ' 57' ' ' THR . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.737 HG12 HG21 ' A' ' 56' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.985 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.729 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.596 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 87' ' ' ILE . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.985 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.977 HG23 ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.822 HD22 HG21 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.977 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.853 ' CE1' HD11 ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.904 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.918 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.794 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.5 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.592 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.77 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.481 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.436 HD21 HG22 ' A' ' 119' ' ' ILE . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.54 -69.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.39 -173.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 127.56 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 113.08 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 133.59 49.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 61.63 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 131' ' ' ILE . 5.2 mp -86.17 142.11 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 131.16 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -136.26 166.54 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.404 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 49.07 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.504 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -39.37 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.824 ' C ' HD13 ' A' ' 28' ' ' LEU . 4.1 mt-30 -137.7 149.41 46.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -166.67 -171.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -91.08 146.48 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -118.04 -174.33 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.577 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -78.12 -166.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 8.4 pt-20 -111.49 -34.96 5.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 44.8 t -60.98 -17.68 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.761 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.065 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.065 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.711 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 59' ' ' ILE . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.75 HG21 HD13 ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.787 ' O ' HD12 ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.073 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.607 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 71' ' ' ILE . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.594 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 83' ' ' LYS . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.434 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 71' ' ' ILE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.758 HG21 ' HG ' ' A' ' 28' ' ' LEU . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.431 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.947 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.933 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD13 ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.3 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.478 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 125' ' ' GLU . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 -37.34 -58.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 122' ' ' ALA . 3.5 mt -40.19 123.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' GLU . 7.8 mttt -50.47 -70.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -40.34 98.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' LYS . 2.2 tt0 -67.62 121.34 15.68 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.19 58.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.7 mm -122.53 76.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.17 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.65 170.56 18.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.065 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.27 -61.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.499 ' HE3' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? -129.54 172.93 11.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.759 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -168.56 124.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.57 -171.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -90.73 152.43 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -124.87 -176.57 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 111.039 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.39 -170.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.384 1.053 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.8 pt-20 -109.74 -28.73 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 31.2 t -64.96 -17.09 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.35 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CB ' HD21 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.472 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG11 ' CG1' ' A' ' 119' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.74 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 56' ' ' VAL . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.809 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' C ' HD12 ' A' ' 68' ' ' ILE . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.931 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 64' ' ' ASP . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.75 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 71' ' ' ILE . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HB2' ' HE3' ' A' ' 85' ' ' MET . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.522 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 83' ' ' LYS . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 71' ' ' ILE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.747 HG23 ' HA2' ' A' ' 95' ' ' GLY . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.499 ' HA3' ' HE3' ' A' ' 26' ' ' MET . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.747 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.959 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 14.5 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.501 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.8 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 124' ' ' LEU . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.92 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 121' ' ' SER . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.64 -53.53 30.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.92 HD12 ' O ' ' A' ' 122' ' ' ALA . 6.6 mt -40.52 -57.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 70.8 -68.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.01 135.69 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.3 87.78 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.19 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.4 137.43 56.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' ILE . 40.0 mm -118.45 106.63 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 149.91 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -91.7 153.74 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -42.48 -56.57 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.725 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -144.45 115.12 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' C ' HD13 ' A' ' 28' ' ' LEU . 1.9 tt0 -81.06 150.77 28.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.692 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.87 -168.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -103.26 145.84 29.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -123.09 -170.77 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -87.79 -171.66 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.57 -34.2 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 34' ' ' LEU . 26.7 p -56.7 -19.52 17.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.61 1.194 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.467 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' VAL . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.747 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.781 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.854 HG21 HD22 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 57' ' ' THR . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.048 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.547 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.679 ' O ' HD12 ' A' ' 87' ' ' ILE . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 26' ' ' MET . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 71' ' ' ILE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.87 HG23 ' HA2' ' A' ' 95' ' ' GLY . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.485 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.87 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CE1' HD11 ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.972 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.916 ' N ' HD13 ' A' ' 105' ' ' LEU . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.791 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.781 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.489 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.4 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.528 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.781 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 124' ' ' LEU . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.87 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 121' ' ' SER . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -43.43 -50.48 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.87 HD12 ' O ' ' A' ' 122' ' ' ALA . 10.4 mt -52.62 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -47.08 129.64 12.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.2 60.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.09 53.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 62.66 129.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -90.99 129.41 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER 174.61 44.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.24 158.21 16.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 2.3 m-70 -56.89 -32.91 66.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.525 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.29 108.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.827 ' C ' HD13 ' A' ' 28' ' ' LEU . 1.8 tp60 -84.04 154.92 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.81 -173.36 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 1.8 tttm -91.33 152.2 20.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.814 ' HE1' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -111.43 162.56 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -73.31 -170.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.84 -29.7 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -65.06 -26.92 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 108.323 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.782 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.682 ' C ' HD12 ' A' ' 68' ' ' ILE . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.924 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 64' ' ' ASP . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.712 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.734 ' O ' HD12 ' A' ' 87' ' ' ILE . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.42 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.814 HD11 ' HE1' ' A' ' 30' ' ' PHE . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' A' ' 71' ' ' ILE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 1.016 HG23 ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 59' ' ' ILE . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 1.016 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.996 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.813 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.733 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 40' ' ' MET . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.813 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.7 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.542 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.733 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD21 HG22 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.41 -71.6 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.51 111.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 115.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.46 156.99 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.18 173.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.237 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 131' ' ' ILE . 0.3 OUTLIER -109.64 80.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 132' ' ' LYS . 0.6 OUTLIER 55.86 164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 131' ' ' ILE . 6.3 mttt 60.48 150.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -147.45 145.48 29.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' CG ' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -135.16 -42.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.685 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.601 ' SD ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.33 -51.64 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.839 ' C ' HD13 ' A' ' 28' ' ' LEU . 38.2 tp60 67.79 134.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -172.08 -170.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -89.06 152.58 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -123.46 -167.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -87.87 -166.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 12.7 pt-20 -110.35 -44.57 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 m -52.95 -21.79 4.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 39' ' ' ASP . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.685 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HB3' HG22 ' A' ' 47' ' ' VAL . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.05 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.05 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.838 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.872 ' HA ' HD12 ' A' ' 59' ' ' ILE . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' C ' ' A' ' 62' ' ' PHE . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.886 HG21 HD13 ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.667 ' C ' HG23 ' A' ' 57' ' ' THR . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' N ' HG23 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.785 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.796 HG21 ' HG ' ' A' ' 28' ' ' LEU . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 59' ' ' ILE . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.823 ' CE1' HD11 ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.547 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.867 ' N ' HD13 ' A' ' 105' ' ' LEU . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.8 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG2' HD21 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.753 ' HG3' HD23 ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.74 -66.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.562 HD22 ' OE1' ' A' ' 129' ' ' GLU . 15.7 mt -49.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.09 98.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 48.77 76.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.562 ' OE1' HD22 ' A' ' 126' ' ' LEU . 1.3 tp10 -60.29 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.03 80.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 131' ' ' ILE . 5.2 mp -85.64 115.2 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.36 100.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -40.0 117.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 1.1 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 80.77 -51.18 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.581 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -163.54 149.22 11.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.754 ' C ' HD13 ' A' ' 28' ' ' LEU . 63.9 mm-40 -139.84 148.69 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.754 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.81 -171.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.7 tttp -95.71 160.54 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CD2' ' CD ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -106.65 171.17 7.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -79.37 -165.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -107.23 -9.39 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m -94.01 -23.09 18.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.385 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.531 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.693 ' HE1' HD13 ' A' ' 109' ' ' LEU . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' CD1' ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.412 ' HA ' HG22 ' A' ' 56' ' ' VAL . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.776 ' HA ' HD12 ' A' ' 59' ' ' ILE . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.924 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.765 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.765 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.035 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.681 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.749 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.806 ' O ' HD12 ' A' ' 87' ' ' ILE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.463 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.035 HD21 HD11 ' A' ' 71' ' ' ILE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.835 HG23 ' HA2' ' A' ' 95' ' ' GLY . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.924 HD22 HG21 ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.835 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 93' ' ' LEU . 2.3 m-80 -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.749 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.551 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.899 ' N ' HD13 ' A' ' 105' ' ' LEU . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.817 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.792 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.5 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.792 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.64 -76.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.45 114.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -122.31 77.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -163.26 161.18 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 128' ' ' LYS . 7.4 tp10 33.0 90.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.247 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -161.64 136.23 7.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.4 mm -46.29 112.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.54 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.42 130.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 95.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 81.37 -50.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -166.99 109.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.8 mm-40 -83.13 147.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -162.43 -170.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.232 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.72 148.45 22.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HE1' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.41 -155.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -108.19 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -114.74 -10.98 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m -90.28 -14.17 33.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 108.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.726 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' O ' ' NE1' ' A' ' 106' ' ' TRP . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.476 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.872 ' O ' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.833 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 48' ' ' ILE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.695 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.79 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 52' ' ' ILE . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.604 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.975 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.74 HG12 HG21 ' A' ' 56' ' ' VAL . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.745 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' CD ' ' N ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.562 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.517 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.6 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 26' ' ' MET . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' A' ' 71' ' ' ILE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.879 HG23 ' HA2' ' A' ' 95' ' ' GLY . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.879 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.814 ' CE1' HD11 ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.8 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.449 ' O ' HD13 ' A' ' 116' ' ' ILE . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.562 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.4 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -173.5 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -164.94 122.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.61 153.92 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 79.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -66.01 121.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.14 91.08 4.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.93 138.7 39.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 172.26 -42.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.531 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.5 mpp? -124.52 -63.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.843 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 74.78 118.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.18 -173.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -82.01 148.74 28.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -96.02 -160.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -106.18 -159.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -18.25 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -18.96 23.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.866 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD21 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.87 ' HE2' ' HA ' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.953 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.953 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 52' ' ' ILE . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.599 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.038 HD11 HD21 ' A' ' 89' ' ' LEU . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.471 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.703 ' OG ' HD13 ' A' ' 34' ' ' LEU . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.544 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.698 HG23 ' H ' ' A' ' 27' ' ' GLN . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 71' ' ' ILE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.972 HG23 ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.531 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.972 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.98 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.911 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.764 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.4 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.796 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 124' ' ' LEU . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 121' ' ' SER . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -49.97 -63.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.09 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -89.11 129.94 35.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 134.08 55.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.31 139.43 47.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 136.82 58.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.36 133.2 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -86.22 165.01 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 169.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CD2' ' SD ' ' A' ' 26' ' ' MET . 16.7 p80 -112.94 39.53 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 1.031 ' HE2' ' HA ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER 176.37 155.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' C ' HD13 ' A' ' 28' ' ' LEU . 5.8 mt-30 -152.12 145.27 24.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -171.07 -171.88 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.609 1.193 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.8 tttt -88.96 154.3 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -116.48 -170.88 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.738 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -88.73 -168.47 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -105.71 -44.83 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m -52.29 -22.1 4.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.258 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.738 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD21 ' A' ' 110' ' ' LEU . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.524 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.041 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 48' ' ' ILE . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HE2' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.934 HG21 HD22 ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.826 ' O ' HD12 ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 64' ' ' ASP . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.782 ' CE1' HG23 ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.685 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 71' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 87' ' ' ILE . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.442 ' HA ' ' HE3' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 1.031 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 65.4 m-20 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.753 HG21 ' HG ' ' A' ' 28' ' ' LEU . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.934 HD22 HG21 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.75 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.958 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.924 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.766 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 40' ' ' MET . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.1 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.417 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.663 HD11 HG11 ' A' ' 47' ' ' VAL . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.766 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 127' ' ' LYS . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -42.66 -56.25 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.86 -35.62 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 124' ' ' LEU . 2.1 mmtm 64.96 45.01 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.37 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.63 74.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.29 -73.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 52.52 77.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mm -133.08 120.96 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.77 -72.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? 76.14 129.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 110.269 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 175.42 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.557 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.545 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -169.38 -90.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.706 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 86.15 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.31 -172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' HD23 ' A' ' 28' ' ' LEU . 79.0 tttt -84.47 149.16 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -115.96 -178.17 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.47 -170.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -103.48 -43.9 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.7 -23.63 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.343 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CB ' HD21 ' A' ' 110' ' ' LEU . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.715 ' HE1' HD13 ' A' ' 109' ' ' LEU . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.951 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 48' ' ' ILE . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.806 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.951 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.742 HG12 HG21 ' A' ' 56' ' ' VAL . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 106' ' ' TRP . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 87' ' ' ILE . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.628 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 79.9 m-20 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.849 HG23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.545 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD22 HG21 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.849 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.938 ' N ' HD13 ' A' ' 105' ' ' LEU . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.823 ' HA ' HD22 ' A' ' 110' ' ' LEU . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.775 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD13 ' HE1' ' A' ' 40' ' ' MET . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 9.9 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.43 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.558 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.775 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 124' ' ' LEU . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.9 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' A' ' 121' ' ' SER . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -51.23 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 122' ' ' ALA . 14.9 mt -40.67 150.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -120.44 164.26 16.65 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -157.03 139.82 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.94 111.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.63 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 25.5 mm -119.91 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 63.01 93.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 141.71 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB2' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -99.47 169.76 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? 61.22 163.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -173.53 44.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.783 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.71 -170.89 3.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -89.17 155.6 19.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -117.19 -167.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' HB2' ' HG2' ' A' ' 99' ' ' ARG . . . -90.9 -165.9 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.57 -38.74 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p -55.16 -19.6 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.793 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.459 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.749 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.94 HG21 HD22 ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.868 ' O ' HD12 ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.925 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.952 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.742 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.614 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.786 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.813 ' O ' HD12 ' A' ' 87' ' ' ILE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.449 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.952 HD21 HD11 ' A' ' 71' ' ' ILE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.502 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.94 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.793 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.955 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.798 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.797 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 12.0 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.797 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 124' ' ' LEU . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 119' ' ' ILE . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.26 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.27 107.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 62.43 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -62.26 178.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.5 102.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.66 112.4 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 131' ' ' ILE . 36.2 mm -120.51 67.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.89 155.09 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -170.89 149.02 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.392 1.057 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.46 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 71.53 -57.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.513 ' N ' ' SD ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -172.22 141.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.673 ' C ' HD13 ' A' ' 28' ' ' LEU . 61.8 mm-40 -127.72 139.43 52.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.875 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -168.1 -169.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -103.05 156.55 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -120.32 -170.6 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.997 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -78.61 -169.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' LEU . 14.2 pt-20 -105.78 -46.52 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 31.8 m -48.98 -23.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 30' ' ' PHE . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' LYS . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.46 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.908 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.429 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 52' ' ' ILE . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.85 ' O ' HD12 ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.899 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 56' ' ' VAL . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 74' ' ' GLN . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.62 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.628 ' HB2' ' CH2' ' A' ' 106' ' ' TRP . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.808 ' O ' HD12 ' A' ' 87' ' ' ILE . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.411 ' CA ' ' CE ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 27.5 m-20 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.875 HG21 ' HG ' ' A' ' 28' ' ' LEU . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' HA3' ' HE2' ' A' ' 26' ' ' MET . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 59' ' ' ILE . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.729 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.743 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.814 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.1 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.533 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.814 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.417 HD21 HG22 ' A' ' 119' ' ' ILE . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -51.94 -68.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.01 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -177.4 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.82 174.48 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -38.98 143.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.45 75.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 mm -107.96 75.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 91.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 129.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' C ' ' SD ' ' A' ' 26' ' ' MET . 67.3 m-70 -75.92 -2.34 29.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -135.62 -69.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.781 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.8 125.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.828 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -168.54 -172.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 30' ' ' PHE . 14.3 ttmt -94.81 157.13 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -123.31 -169.63 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 111.039 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.67 -165.95 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.86 -42.35 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m -50.1 -24.12 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.673 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' A' ' 110' ' ' LEU . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' HD13 ' A' ' 109' ' ' LEU . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.013 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.791 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 62' ' ' PHE . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.879 HG21 HD22 ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' N ' HG23 ' A' ' 57' ' ' THR . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.818 ' O ' HD12 ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.949 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.956 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.632 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.724 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' CB ' HD23 ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.628 ' HE2' ' HA ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.674 ' HA ' HD21 ' A' ' 28' ' ' LEU . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.956 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.828 HG21 ' HG ' ' A' ' 28' ' ' LEU . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.458 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.879 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.786 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.878 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.967 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.919 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.826 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 17.0 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.521 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -49.56 -66.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 122' ' ' ALA . 14.3 mt -48.3 171.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -62.91 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.22 83.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.6 112.57 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.52 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.8 mm -116.35 95.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -79.74 75.5 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.16 136.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' C ' ' SD ' ' A' ' 26' ' ' MET . 10.1 m-70 -126.52 43.41 3.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.668 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 2.5 mpt? -152.69 -108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.677 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 89.87 105.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.769 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -167.27 -171.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 28' ' ' LEU . 29.8 ttmt -88.74 152.29 21.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -114.83 -168.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 99' ' ' ARG . . . -91.44 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 11.0 pt-20 -108.24 -48.98 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 m -49.96 -23.97 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 108.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.747 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.699 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.043 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 48' ' ' ILE . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HD3' HD21 ' A' ' 45' ' ' LEU . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 52' ' ' ILE . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.832 HG21 HD22 ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.551 ' C ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.972 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 56' ' ' VAL . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.767 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CB ' HD23 ' A' ' 45' ' ' LEU . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.475 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.557 ' HE1' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.519 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.557 HG21 ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.769 HG21 ' HG ' ' A' ' 28' ' ' LEU . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' HA3' ' CG ' ' A' ' 26' ' ' MET . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.832 HD22 HG21 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.731 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.747 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.797 ' CE1' HD11 ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.949 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.943 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.788 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.699 HD13 ' HE1' ' A' ' 40' ' ' MET . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.424 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 12.0 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.445 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.697 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 124' ' ' LEU . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -68.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.64 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -139.07 69.93 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -53.03 115.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -69.0 94.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.41 90.51 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 131' ' ' ILE . 4.7 mp -93.22 69.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.12 166.05 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -154.69 150.54 27.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 48.2 m80 49.18 -123.74 1.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.564 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.542 ' CE ' ' HB3' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -124.43 165.8 17.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.761 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -139.49 143.99 37.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.782 ' N ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.81 -172.22 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -85.85 156.24 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -119.33 -171.16 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.876 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -85.37 -166.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 9.4 pt-20 -110.74 -35.55 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 73.8 m -65.79 -13.6 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.876 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.469 ' CE ' ' HA ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.891 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.78 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.944 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 52' ' ' ILE . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 56' ' ' VAL . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.729 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.69 HG12 HG21 ' A' ' 56' ' ' VAL . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.059 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.611 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.572 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.615 ' HA ' HD21 ' A' ' 28' ' ' LEU . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 78.1 m-20 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 71' ' ' ILE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.754 HG23 ' HA2' ' A' ' 95' ' ' GLY . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.754 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.569 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.961 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.912 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.777 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.494 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 11.9 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.616 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.574 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 121' ' ' SER . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -50.34 -58.21 6.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 122' ' ' ALA . 13.5 mt -59.23 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -91.25 -179.18 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.68 118.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -137.09 133.97 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.44 77.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.58 141.4 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -75.2 156.01 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -129.44 124.37 33.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' O ' ' HE3' ' A' ' 26' ' ' MET . 2.1 p-80 -100.17 41.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.546 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -126.67 -169.96 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.779 ' C ' HD13 ' A' ' 28' ' ' LEU . 23.4 mm-40 83.87 110.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -176.55 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -104.27 148.99 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.96 153.94 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -176.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -102.09 -31.12 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.76 -17.76 57.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD23 ' N ' ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CB ' HD21 ' A' ' 110' ' ' LEU . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE3' HD13 ' A' ' 109' ' ' LEU . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 1.014 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.723 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.024 HG21 HD22 ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.613 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.657 HG11 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.811 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 1.056 HD11 HD21 ' A' ' 89' ' ' LEU . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.747 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.668 HE22 ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 71' ' ' ILE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' CA ' ' O ' ' A' ' 25' ' ' HIS . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.657 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.024 HD22 HG21 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.668 ' HG3' HE22 ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.596 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.998 HD22 ' O ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TRP . . . . . 0.871 ' N ' HD13 ' A' ' 105' ' ' LEU . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 40' ' ' MET . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 10.9 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.541 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.595 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 124' ' ' LEU . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 121' ' ' SER . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -43.35 -48.81 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.4 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.221 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -153.09 64.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -150.8 60.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.55 164.87 5.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -179.67 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 131' ' ' ILE . 15.0 mm 36.4 78.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 130.21 41.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.481 ' OE1' HG22 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -148.46 156.64 42.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.239 -179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.485 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.761 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.778 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.644 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 52' ' ' ILE . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.018 HG21 HD22 ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.947 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.748 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 89' ' ' LEU . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.734 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.539 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB2' ' CE ' ' A' ' 102' ' ' MET . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 87' ' ' ILE . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.686 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 71' ' ' ILE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.834 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.018 HD22 HG21 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.834 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.804 ' CE1' HD11 ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.977 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.781 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.3 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.435 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.435 HD11 ' ND2' ' A' ' 115' ' ' ASN . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.636 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.04 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.817 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 52' ' ' ILE . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.05 HG21 HD22 ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.95 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.84 HG12 HG21 ' A' ' 56' ' ' VAL . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.987 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.71 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.452 ' CB ' HD23 ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.599 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.597 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.743 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.987 HD21 HD11 ' A' ' 71' ' ' ILE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.796 HG23 ' HA2' ' A' ' 95' ' ' GLY . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.05 HD22 HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.796 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.67 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.568 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.931 ' N ' HD13 ' A' ' 105' ' ' LEU . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.796 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.616 HD13 ' HE1' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.627 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.738 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.518 ' HE1' HD13 ' A' ' 109' ' ' LEU . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.875 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.777 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.758 HG12 HG21 ' A' ' 56' ' ' VAL . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.015 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 40' ' ' MET . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.015 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.854 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.854 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG2' ' NE2' ' A' ' 86' ' ' GLN . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.867 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.567 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.917 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 105' ' ' LEU . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.792 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 2.8 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.588 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.787 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.439 HD21 HG22 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.904 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.466 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.468 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' HG22 ' A' ' 47' ' ' VAL . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 62' ' ' PHE . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.822 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.734 ' CE1' HD22 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' N ' HG23 ' A' ' 57' ' ' THR . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.737 HG12 HG21 ' A' ' 56' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.985 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.729 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.596 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 87' ' ' ILE . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.985 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.977 HG23 ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.822 HD22 HG21 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.977 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.853 ' CE1' HD11 ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.904 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.918 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.794 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.422 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.592 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.77 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.481 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.436 HD21 HG22 ' A' ' 119' ' ' ILE . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' N ' HD23 ' A' ' 34' ' ' LEU . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.761 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.065 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.065 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.711 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 59' ' ' ILE . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.75 HG21 HD13 ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.787 ' O ' HD12 ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.073 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.607 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 71' ' ' ILE . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.594 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 83' ' ' LYS . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.434 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 71' ' ' ILE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.668 HG23 ' HA2' ' A' ' 95' ' ' GLY . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.933 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.662 HD13 ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.478 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 125' ' ' GLU . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.35 -0.982 . . . . 0.0 108.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CB ' HD21 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG11 ' CG1' ' A' ' 119' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.74 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 56' ' ' VAL . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.809 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.67 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' C ' HD12 ' A' ' 68' ' ' ILE . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.931 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 64' ' ' ASP . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.75 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 71' ' ' ILE . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HB2' ' HE3' ' A' ' 85' ' ' MET . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.522 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 83' ' ' LYS . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 71' ' ' ILE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.747 HG23 ' HA2' ' A' ' 95' ' ' GLY . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.747 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.9 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.501 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.8 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 124' ' ' LEU . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 121' ' ' SER . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 34' ' ' LEU . 26.7 p . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.404 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' VAL . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.747 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.781 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.854 HG21 HD22 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.58 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 57' ' ' THR . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.048 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.547 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.679 ' O ' HD12 ' A' ' 87' ' ' ILE . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.679 HD12 ' O ' ' A' ' 83' ' ' LYS . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 71' ' ' ILE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.87 HG23 ' HA2' ' A' ' 95' ' ' GLY . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.87 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CE1' HD11 ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.972 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.916 ' N ' HD13 ' A' ' 105' ' ' LEU . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.791 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.781 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.489 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.528 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.781 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 124' ' ' LEU . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' ND2' ' A' ' 115' ' ' ASN . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.782 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.682 ' C ' HD12 ' A' ' 68' ' ' ILE . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.924 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 64' ' ' ASP . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.712 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.734 ' O ' HD12 ' A' ' 87' ' ' ILE . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.42 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.434 ' NE2' ' HG3' ' A' ' 99' ' ' ARG . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.734 HD12 ' O ' ' A' ' 83' ' ' LYS . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' A' ' 71' ' ' ILE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 1.016 HG23 ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 59' ' ' ILE . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 1.016 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.996 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.813 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.733 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 40' ' ' MET . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.813 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.0 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.428 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.542 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.733 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.519 HD21 HG22 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 ' N ' HD23 ' A' ' 34' ' ' LEU . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 39' ' ' ASP . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.685 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HB3' HG22 ' A' ' 47' ' ' VAL . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.05 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.05 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.699 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.838 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.872 ' HA ' HD12 ' A' ' 59' ' ' ILE . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' C ' ' A' ' 62' ' ' PHE . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.886 HG21 HD13 ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.667 ' C ' HG23 ' A' ' 57' ' ' THR . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' N ' HG23 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.785 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.714 HG23 ' HA2' ' A' ' 95' ' ' GLY . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 59' ' ' ILE . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.823 ' CE1' HD11 ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.547 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.991 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.867 ' N ' HD13 ' A' ' 105' ' ' LEU . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG2' HD21 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.753 ' HG3' HD23 ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.588 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.531 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.693 ' HE1' HD13 ' A' ' 109' ' ' LEU . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' CD1' ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.412 ' HA ' HG22 ' A' ' 56' ' ' VAL . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.776 ' HA ' HD12 ' A' ' 59' ' ' ILE . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.924 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.765 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.765 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.035 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.681 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.749 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.806 ' O ' HD12 ' A' ' 87' ' ' ILE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.463 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.035 HD21 HD11 ' A' ' 71' ' ' ILE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.835 HG23 ' HA2' ' A' ' 95' ' ' GLY . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.924 HD22 HG21 ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.835 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.749 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.551 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.991 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.899 ' N ' HD13 ' A' ' 105' ' ' LEU . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.817 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.792 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.792 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.726 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' O ' ' NE1' ' A' ' 106' ' ' TRP . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.476 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.872 HD22 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.833 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 48' ' ' ILE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.695 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.79 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 52' ' ' ILE . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.604 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.604 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.975 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.74 HG12 HG21 ' A' ' 56' ' ' VAL . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.745 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.508 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.562 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.517 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.6 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' A' ' 71' ' ' ILE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.879 HG23 ' HA2' ' A' ' 95' ' ' GLY . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.879 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.814 ' CE1' HD11 ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.562 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD13 ' OG ' ' A' ' 82' ' ' SER . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD21 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.87 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.953 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.953 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 52' ' ' ILE . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.599 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.038 HD11 HD21 ' A' ' 89' ' ' LEU . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.471 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.703 ' OG ' HD13 ' A' ' 34' ' ' LEU . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.544 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.572 HD12 ' O ' ' A' ' 83' ' ' LYS . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 71' ' ' ILE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.972 HG23 ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.972 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.577 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.911 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.764 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.796 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.0 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.796 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 124' ' ' LEU . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.416 HD11 ' ND2' ' A' ' 115' ' ' ASN . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.578 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD21 ' A' ' 110' ' ' LEU . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.524 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.041 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 48' ' ' ILE . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HE2' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.934 HG21 HD22 ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.826 ' O ' HD12 ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 64' ' ' ASP . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.782 ' CE1' HG23 ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.685 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 71' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 87' ' ' ILE . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.442 ' HE3' ' HA ' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' OD1' ' CE1' ' A' ' 70' ' ' PHE . 65.4 m-20 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.75 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.934 HD22 HG21 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.75 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.572 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.958 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.924 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.766 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 40' ' ' MET . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.3 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.444 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.663 HD11 HG11 ' A' ' 47' ' ' VAL . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.766 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.444 HD11 ' ND2' ' A' ' 115' ' ' ASN . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.591 ' N ' HD23 ' A' ' 34' ' ' LEU . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CB ' HD21 ' A' ' 110' ' ' LEU . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.715 ' HE1' HD13 ' A' ' 109' ' ' LEU . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.951 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 48' ' ' ILE . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.806 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.409 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.951 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.742 HG12 HG21 ' A' ' 56' ' ' VAL . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CE1' ' ND2' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 106' ' ' TRP . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 87' ' ' ILE . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 70' ' ' PHE . 25.9 m120 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.849 HG23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.802 HD22 HG21 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.849 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.938 ' N ' HD13 ' A' ' 105' ' ' LEU . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.823 ' HA ' HD22 ' A' ' 110' ' ' LEU . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.775 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.715 HD13 ' HE1' ' A' ' 40' ' ' MET . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.1 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.43 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.558 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.775 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 124' ' ' LEU . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 115' ' ' ASN . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.793 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.749 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.94 HG21 HD22 ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.868 ' O ' HD12 ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.925 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.952 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.742 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.614 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.786 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.813 ' O ' HD12 ' A' ' 87' ' ' ILE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.449 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' N ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.952 HD21 HD11 ' A' ' 71' ' ' ILE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.94 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.463 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.793 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.798 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.797 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.797 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 124' ' ' LEU . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 119' ' ' ILE . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 31.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' LYS . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.908 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.429 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 52' ' ' ILE . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.85 ' O ' HD12 ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.899 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 56' ' ' VAL . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 74' ' ' GLN . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.62 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.628 ' HB2' ' CH2' ' A' ' 106' ' ' TRP . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.808 ' O ' HD12 ' A' ' 87' ' ' ILE . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.411 ' CA ' ' CE ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 27.5 m-20 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.729 HG23 ' HA2' ' A' ' 95' ' ' GLY . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 59' ' ' ILE . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.729 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.743 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.814 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.533 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.814 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.418 HD11 ' ND2' ' A' ' 115' ' ' ASN . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.673 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' A' ' 110' ' ' LEU . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' HD13 ' A' ' 109' ' ' LEU . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.013 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.791 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 62' ' ' PHE . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.879 HG21 HD22 ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' N ' HG23 ' A' ' 57' ' ' THR . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.818 ' O ' HD12 ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.949 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.956 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.632 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.724 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.595 ' CB ' HD23 ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.956 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.786 HG23 ' HA2' ' A' ' 95' ' ' GLY . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.879 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.786 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.878 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.919 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.826 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.4 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.521 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.608 ' N ' HD23 ' A' ' 34' ' ' LEU . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.699 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.043 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 48' ' ' ILE . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HD3' HD21 ' A' ' 45' ' ' LEU . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 52' ' ' ILE . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.832 HG21 HD22 ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.551 ' C ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.972 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 56' ' ' VAL . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.767 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CB ' HD23 ' A' ' 45' ' ' LEU . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.475 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.539 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.557 ' HE1' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.514 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.557 HG21 ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.731 HG23 ' HA2' ' A' ' 95' ' ' GLY . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.832 HD22 HG21 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.731 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 99' ' ' ARG . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.797 ' CE1' HD11 ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.943 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.788 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.699 HD13 ' HE1' ' A' ' 40' ' ' MET . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.424 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.445 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.697 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 124' ' ' LEU . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.891 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.78 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.649 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.944 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 52' ' ' ILE . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 56' ' ' VAL . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.729 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.69 HG12 HG21 ' A' ' 56' ' ' VAL . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.059 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.611 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.404 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.589 HD12 ' O ' ' A' ' 83' ' ' LYS . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 22.3 m120 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 71' ' ' ILE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.754 HG23 ' HA2' ' A' ' 95' ' ' GLY . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.754 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.569 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.912 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.777 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.494 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.616 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.574 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.441 HD11 ' ND2' ' A' ' 115' ' ' ASN . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CB ' HD21 ' A' ' 110' ' ' LEU . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE3' HD13 ' A' ' 109' ' ' LEU . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 1.014 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.723 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.024 HG21 HD22 ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.613 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.657 HG11 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.811 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 1.056 HD11 HD21 ' A' ' 89' ' ' LEU . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.747 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.594 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 71' ' ' ILE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.657 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.024 HD22 HG21 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.596 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.998 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TRP . . . . . 0.871 ' N ' HD13 ' A' ' 105' ' ' LEU . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 40' ' ' MET . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.541 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.595 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 124' ' ' LEU . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.436 HD11 ' ND2' ' A' ' 115' ' ' ASN . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 76.2 p . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.444 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 3.0 m-70 -79.22 -52.18 8.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.161 . . . . 0.0 109.583 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.741 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -144.57 120.12 10.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 111.043 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.547 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -85.55 145.03 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.453 1.095 . . . . 0.0 110.3 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.737 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -164.22 -171.01 2.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -101.95 149.37 24.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.158 . . . . 0.0 109.23 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' HE2' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -119.89 -167.02 1.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 111.032 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.604 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -92.79 -169.22 2.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -107.31 -38.85 5.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 110.266 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 25.2 p -55.93 -20.17 15.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 108.266 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 7.2 mt -65.63 -11.07 41.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -94.24 20.31 8.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.267 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.7 OUTLIER -89.36 -7.8 54.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.232 -179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.18 175.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.456 HG12 ' CD1' ' A' ' 110' ' ' LEU . 33.8 m -154.24 -166.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.5 t0 -167.48 93.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.485 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.3 mmt -61.52 -24.9 66.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 -7.11 48.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -117.32 -37.57 3.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.76 152.04 11.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -89.47 128.25 35.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.894 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.29 -26.07 19.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.894 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.24 -37.66 75.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.761 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.7 m -69.86 -6.65 6.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.778 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.86 -8.49 11.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.247 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.644 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.48 -47.63 98.66 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.252 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.582 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.95 -27.77 9.82 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.519 1.8 . . . . 0.0 111.036 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.7 t90 -74.23 -47.3 36.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 107.974 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.789 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.0 OUTLIER -69.69 -51.4 41.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.445 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 99.2 m -56.97 -38.11 72.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.417 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 18.0 tttt -74.1 -39.28 63.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 109.372 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.562 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.45 -50.73 64.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.317 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 52' ' ' ILE . 19.5 m -61.9 -39.83 84.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.57 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.0 m -68.21 -41.9 80.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.363 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -72.7 -28.75 62.87 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.018 HG21 HD22 ' A' ' 93' ' ' LEU . 10.9 mt -56.64 -47.45 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.619 1.199 . . . . 0.0 109.308 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.59 -46.34 5.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.57 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.67 -10.83 6.73 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.55 1.156 . . . . 0.0 111.006 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.2 p90 -128.65 154.29 46.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 0.764 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' N ' HG23 ' A' ' 57' ' ' THR . 25.0 tt0 -72.79 110.58 7.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.434 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.1 m-20 -75.46 -151.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -168.9 -48.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.273 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -64.94 -44.21 96.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.947 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.3 -42.27 74.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.416 1.072 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.748 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.49 -48.73 87.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.282 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -56.49 -41.56 76.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.647 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.45 -46.89 83.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.07 HD11 HD21 ' A' ' 89' ' ' LEU . 2.8 mt -71.62 -44.15 70.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.548 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.47 -48.7 76.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.939 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -64.14 -38.84 92.51 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.58 1.175 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.734 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.58 -38.15 65.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 71' ' ' ILE . 16.2 mt -79.14 -1.18 34.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.81 -4.3 59.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.734 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -101.56 -171.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.55 -18.76 15.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.359 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.539 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.24 89.22 7.79 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.454 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -75.11 154.36 41.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.977 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -101.71 96.5 7.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.253 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.473 ' HB2' ' CE ' ' A' ' 102' ' ' MET . 67.2 p -51.67 -30.89 23.57 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.686 ' O ' HD12 ' A' ' 87' ' ' ILE . 33.1 mmtp -59.09 -48.74 80.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.246 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -33.79 75.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.465 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.6 tpp -62.35 -52.95 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.948 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.485 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -69.0 -33.88 74.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 110.295 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.741 HG23 ' O ' ' A' ' 26' ' ' MET . 5.3 mt -68.35 -40.51 82.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.647 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.9 m-20 -73.63 -41.42 62.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.07 HD21 HD11 ' A' ' 71' ' ' ILE . 11.2 mt -61.14 -45.57 94.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.834 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.8 m -58.42 -22.97 56.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.528 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.15 -22.21 75.96 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.527 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -117.63 -45.31 2.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 0.754 . . . . 0.0 111.015 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.018 HD22 HG21 ' A' ' 59' ' ' ILE . 10.1 mt -64.32 -166.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -93.9 -10.15 34.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.834 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.6 -46.44 1.17 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.56 1.162 . . . . 0.0 110.973 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.47 -35.25 58.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 0.762 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -68.09 -31.02 70.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.496 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.485 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 2.9 ttp180 -68.47 -40.16 81.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.227 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -73.16 -37.09 66.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.804 ' CE1' HD11 ' A' ' 89' ' ' LEU . 18.8 t80 -64.39 -48.71 74.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 71.0 mmm -66.27 -32.92 74.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.46 12.6 26.22 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.451 1.095 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.3 mt-10 -128.82 -29.53 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 110.261 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.977 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.81 -36.25 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.261 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.901 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -61.24 -42.74 87.22 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 107.986 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.781 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.02 -27.65 9.8 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.988 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.499 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.61 -42.54 88.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD21 HG13 ' A' ' 48' ' ' ILE . 9.2 mt -71.84 -33.43 68.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.781 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.98 -43.83 70.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.3 t -78.28 -32.83 49.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.53 -46.91 80.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.472 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.3 pt20 -62.01 -13.32 24.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -91.12 -9.56 45.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.435 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -90.54 -165.47 1.36 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.79 -41.56 4.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.33 3.72 48.7 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 67.75 38.89 90.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.445 1.09 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.532 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -117.52 135.03 23.11 Favored Pre-proline 0 C--N 1.327 -0.403 0 O-C-N 124.468 0.746 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -75.06 150.95 38.66 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.568 1.825 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.405 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.8 p -58.78 -17.22 21.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.015 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.09 -29.18 68.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.575 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.3 m-30 -100.3 -34.29 10.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.435 HD11 ' ND2' ' A' ' 115' ' ' ASN . 47.9 mt -57.72 -68.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 110.341 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 mt -57.37 -174.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 146.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.62 156.59 9.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.11 -177.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -124.48 99.42 6.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 110.332 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.86 137.49 21.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.59 133.04 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -126.19 167.92 14.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.407 1.067 . . . . 0.0 110.29 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 10.1 ttm180 . . . . . 0 C--N 1.326 -0.427 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.471 ' O ' ' N ' ' A' ' 26' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 67.46 -67.23 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 109.654 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.501 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.1 mpp? -132.46 179.09 6.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.782 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.6 OUTLIER -179.37 124.16 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.205 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.97 -171.57 1.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -87.57 149.57 24.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.543 ' CE2' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -119.95 -176.51 3.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.712 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.67 -169.5 1.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -109.56 -30.83 7.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.09 . . . . 0.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 96.1 m -66.21 -16.73 64.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 108.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.712 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 7.1 mt -68.39 -11.37 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.158 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.17 24.07 4.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.432 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.1 mmtt -92.83 -7.31 46.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.418 1.074 . . . . 0.0 109.353 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.519 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.86 174.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.5 m -154.28 -159.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.6 t0 -177.4 97.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.275 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.636 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 10.2 mmt -63.03 -24.44 67.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.99 -7.33 45.45 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 110.025 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 19.1 mmtt -118.08 -38.94 3.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 150.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.125 . . . . 0.0 109.346 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -88.52 134.33 33.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.244 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.04 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -97.57 -23.23 16.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.266 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.04 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.36 -39.07 89.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.817 HG23 ' CD1' ' A' ' 48' ' ' ILE . 19.2 m -68.09 -7.88 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.817 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.65 2.71 8.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.613 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -65.91 -45.41 64.34 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -27.99 9.53 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 57.5 t90 -73.71 -49.14 27.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 107.992 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -66.49 -51.63 55.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.261 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.5 m -57.51 -38.7 75.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 2.9 tttt -74.39 -41.34 61.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 8.4 mmt-85 -62.59 -50.71 70.18 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 52' ' ' ILE . 18.3 m -63.47 -40.06 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.238 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.563 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.9 m -67.71 -42.33 82.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.41 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.51 -28.8 63.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.05 HG21 HD22 ' A' ' 93' ' ' LEU . 9.2 mt -56.62 -47.35 82.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.56 -46.01 5.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.38 -9.89 7.32 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.497 1.123 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 6.2 p90 -129.56 155.06 46.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 110.927 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 107.88 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.259 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.549 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -71.76 -153.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 1.178 . . . . 0.0 109.319 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -171.54 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.552 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.6 -45.68 94.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.95 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.3 m -71.52 -40.87 72.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.84 HG12 HG21 ' A' ' 56' ' ' VAL . 45.6 mt -61.88 -49.85 82.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.2 mt-10 -55.8 -42.56 75.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.3 -46.93 82.7 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.028 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.987 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -72.31 -43.74 64.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -63.63 -48.7 76.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.415 1.072 . . . . 0.0 111.031 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.88 -39.21 93.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.431 1.082 . . . . 0.0 109.225 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.71 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.04 -39.29 69.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.452 ' CB ' HD23 ' A' ' 45' ' ' LEU . 13.1 mt -78.91 -3.18 43.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.9 OUTLIER -84.29 -5.69 59.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.71 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -101.63 -171.37 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.11 -19.19 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.599 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.65 89.15 9.29 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.175 . . . . 0.0 109.279 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.1 Cg_endo -74.96 157.6 42.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -105.71 104.95 14.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.597 ' HA ' ' HE3' ' A' ' 102' ' ' MET . 70.0 p -60.38 -33.08 71.96 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.446 1.091 . . . . 0.0 110.095 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.743 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.9 -49.11 79.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.86 82.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.091 . . . . 0.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.6 ttm -61.68 -51.43 68.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 110.925 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.478 ' HG3' ' CG ' ' A' ' 102' ' ' MET . 0.0 OUTLIER -68.47 -33.99 75.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.343 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.2 mt -69.52 -38.52 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 43.0 m-20 -72.6 -43.37 63.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.987 HD21 HD11 ' A' ' 71' ' ' ILE . 14.2 mt -58.52 -44.36 89.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.796 HG23 ' HA2' ' A' ' 95' ' ' GLY . 46.3 m -58.4 -22.52 54.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.4 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.501 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.64 -23.02 76.88 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.476 1.11 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -116.55 -45.74 2.79 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.555 0.797 . . . . 0.0 111.014 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.05 HD22 HG21 ' A' ' 59' ' ' ILE . 9.1 mt -65.06 -167.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -93.29 -13.08 28.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.796 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.45 -46.1 1.22 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.127 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.43 -32.62 58.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 0.757 . . . . 0.0 109.321 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB3' HD13 ' A' ' 93' ' ' LEU . 1.4 m-20 -69.16 -31.23 69.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -64.4 -43.09 95.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.606 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -68.04 -40.6 82.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 1.134 . . . . 0.0 110.247 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -72.69 -37.07 67.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.793 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.7 t80 -65.48 -48.9 71.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.67 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -66.55 -33.36 75.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 111.006 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.406 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.51 13.09 18.25 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 110.902 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.568 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.53 -30.69 2.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 0.757 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.96 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.96 -36.35 10.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.931 ' N ' HD13 ' A' ' 105' ' ' LEU . 33.7 t-105 -60.93 -42.85 89.12 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 108.031 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.796 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.0 -27.98 9.56 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.738 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.29 -42.74 87.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.616 HD13 ' HE1' ' A' ' 40' ' ' MET . 20.9 mt -71.52 -33.76 69.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.394 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.796 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.79 -44.73 70.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.15 -33.05 50.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.963 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.45 -46.39 80.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.486 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.74 -16.06 46.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.281 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.14 -10.66 46.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -88.63 -164.66 1.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.092 . . . . 0.0 109.385 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -42.54 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.43 4.74 38.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 64.39 39.95 97.37 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.627 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -118.98 137.85 25.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.405 0.709 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.738 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.0 Cg_endo -75.08 145.37 31.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.521 1.8 . . . . 0.0 110.996 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 78.4 p -60.54 -16.13 34.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.009 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.48 -28.14 66.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -102.79 -39.61 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.101 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.492 HD21 HG22 ' A' ' 119' ' ' ILE . 91.7 mt -45.18 -65.0 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.36 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -61.2 -72.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.261 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.1 mt -49.21 112.87 0.69 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.74 143.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -79.62 174.54 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -46.29 128.95 10.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -170.72 104.3 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 39.4 mm -122.31 139.05 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 143.44 18.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -178.12 140.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.045 . . . . 0.0 110.377 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 25' ' ' HIS . 5.2 m . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 1.9 m80 68.91 -58.73 0.49 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.636 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.423 ' SD ' ' HB3' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -169.1 156.28 7.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 111.031 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.741 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -146.24 141.64 27.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.801 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -165.63 -170.62 1.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -93.2 154.68 17.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -122.95 172.44 8.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 111.058 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.63 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -67.51 -168.22 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.34 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -108.79 -38.02 5.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.2 t -57.94 -17.81 19.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 108.274 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.867 HD13 ' SD ' ' A' ' 102' ' ' MET . 7.3 mt -67.53 -11.43 58.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -93.16 25.16 3.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.588 1.18 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.45 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.2 OUTLIER -95.92 -5.92 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.532 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.21 175.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 21.2 m -154.49 -163.85 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.8 t0 -171.25 93.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.518 ' HE1' HD13 ' A' ' 109' ' ' LEU . 18.1 mmt -61.57 -24.84 66.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 t -72.1 -7.29 48.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.999 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -117.43 -38.34 3.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.98 151.03 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.2 m-20 -88.49 127.5 35.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.875 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -91.09 -26.58 19.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.875 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.85 -38.24 75.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.34 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.813 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.5 m -68.62 -7.25 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.813 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.64 -6.62 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.623 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.26 -47.7 98.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.584 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.03 -27.8 9.66 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.498 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.588 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 44.0 t90 -73.96 -44.34 55.18 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.762 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.39 -52.19 31.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.418 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 86.3 m -57.26 -39.25 75.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.112 . . . . 0.0 110.434 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.482 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.1 tttt -73.09 -36.8 66.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.364 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 27.4 mmt-85 -68.26 -51.01 49.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.338 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.777 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -62.61 -41.59 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.4 m -64.38 -43.36 94.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.095 . . . . 0.0 110.372 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.05 -28.65 63.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.7 mt -56.38 -47.44 81.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.8 -45.86 5.86 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.424 1.077 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.3 -8.49 7.48 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.118 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -131.32 155.01 47.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 0.787 . . . . 0.0 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.16 107.95 2.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.241 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' ' CD2' ' A' ' 92' ' ' PHE . 1.0 OUTLIER -71.69 -154.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -170.78 -49.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.59 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.87 -45.7 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.2 m -71.48 -40.89 72.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.329 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.758 HG12 HG21 ' A' ' 56' ' ' VAL . 49.4 mt -61.72 -49.99 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER -56.62 -42.13 78.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.261 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.643 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.3 m-85 -57.49 -46.55 83.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 111.039 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.015 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -43.73 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.553 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -64.6 -49.33 71.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 111.022 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -63.09 -40.25 97.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.698 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.03 -39.78 68.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 40' ' ' MET . 22.9 mt -78.78 -4.79 51.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -80.76 -3.76 52.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.2 m -105.25 -171.25 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -20.51 17.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.64 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.11 91.71 8.76 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.479 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 155.57 43.17 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.516 1.798 . . . . 0.0 111.012 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 63.6 t0 -100.13 106.76 18.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.248 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 70.4 p -64.45 -34.14 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.156 . . . . 0.0 110.052 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -59.45 -44.05 93.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.402 ' HE3' ' HA ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -71.16 -35.98 71.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 111.038 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.445 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.0 tpp -61.78 -53.05 61.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.402 ' NE2' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -67.65 -33.55 75.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.8 mt -69.12 -41.02 81.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.643 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 25.6 m-20 -73.65 -43.94 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.015 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -57.71 -46.1 84.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.854 HG23 ' HA2' ' A' ' 95' ' ' GLY . 85.4 m -58.43 -22.31 53.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.405 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.58 -25.25 75.7 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.589 1.18 . . . . 0.0 110.968 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -114.1 -43.44 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 0.759 . . . . 0.0 110.972 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.657 HD22 HG21 ' A' ' 59' ' ' ILE . 2.1 mt -66.39 -167.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 -93.58 -10.42 34.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.854 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.22 -47.87 1.0 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.494 1.121 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.18 -33.0 59.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -66.99 -33.97 76.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.76 98.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HG2' ' NE2' ' A' ' 86' ' ' GLN . 12.1 mtm180 -66.94 -39.73 87.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -73.04 -39.7 65.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.672 ' CE1' HD11 ' A' ' 89' ' ' LEU . 23.6 t80 -63.76 -49.96 70.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.867 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -64.27 -31.61 72.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.078 . . . . 0.0 111.025 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.09 14.25 34.02 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.567 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.9 mt-10 -129.79 -31.12 1.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 0.769 . . . . 0.0 110.334 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.91 -38.27 10.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.917 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.2 t-105 -60.35 -43.44 93.24 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.562 1.164 . . . . 0.0 107.931 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.792 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -74.94 -28.33 9.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.787 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.35 -42.79 87.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 105' ' ' LEU . 6.8 mt -72.13 -32.83 67.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.792 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.57 -41.6 70.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.21 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.2 t -78.22 -42.51 31.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.95 86.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 2.8 pt20 -60.09 -19.7 54.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -88.42 -12.38 43.33 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.57 -162.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -113.55 -40.64 3.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.467 1.105 . . . . 0.0 109.223 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.482 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.84 11.71 19.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 57.04 41.33 92.43 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.588 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -121.76 137.88 27.78 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.787 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.02 147.97 34.56 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 33.0 p -60.11 -16.52 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.029 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.853 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.32 -30.5 68.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.46 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 10.9 m-30 -98.13 -41.0 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.439 HD21 HG22 ' A' ' 119' ' ' ILE . 58.2 mt -48.53 -67.47 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -53.13 -58.62 6.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 122' ' ' ALA . 8.2 mt -51.0 -179.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.91 178.6 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.95 84.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -63.71 138.35 58.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.19 166.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 46.1 mm -43.67 137.93 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.59 123.21 3.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.3 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -93.63 127.36 39.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.627 1.205 . . . . 0.0 110.266 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 110.347 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 72.0 m . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 26' ' ' MET . 18.9 m80 52.88 -97.15 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.506 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 2.9 mpp? -134.04 -175.99 4.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.663 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -176.92 117.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.777 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -164.95 -172.39 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.583 1.177 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' O ' HD23 ' A' ' 28' ' ' LEU . 10.2 ttmt -87.77 154.04 20.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.538 ' CD2' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -122.35 -170.56 2.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -79.85 -169.63 2.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.556 1.16 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -108.48 -39.48 5.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 98.0 m -55.98 -19.78 13.85 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 108.37 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.904 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.9 mt -65.74 -11.55 46.55 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -94.04 23.51 4.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.466 ' CB ' HD21 ' A' ' 110' ' ' LEU . 10.5 mmtt -93.29 -5.84 48.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.468 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.37 173.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.1 m -153.47 -159.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 10.1 t0 -175.9 97.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.451 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 16.1 mmt -63.95 -24.36 67.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.168 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -6.81 45.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.011 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -117.5 -38.74 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.04 152.13 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' O ' HG22 ' A' ' 47' ' ' VAL . 3.0 m-20 -89.59 127.92 35.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.35 -27.1 19.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.23 -37.97 75.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.787 HG23 ' CD1' ' A' ' 48' ' ' ILE . 27.6 m -69.0 -7.0 6.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.575 1.172 . . . . 0.0 109.255 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.787 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.79 -6.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.371 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.597 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.79 -47.8 98.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.6 Cg_endo -74.97 -27.38 10.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.532 1.806 . . . . 0.0 111.038 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.614 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.2 t90 -74.12 -44.54 53.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 108.036 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.8 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -70.25 -51.81 35.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.35 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.456 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.5 m -57.82 -39.92 78.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.423 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.8 OUTLIER -73.5 -34.37 65.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 10.5 mmt180 -71.8 -50.13 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.327 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 52' ' ' ILE . 21.2 m -62.25 -40.69 88.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.634 HG23 ' C ' ' A' ' 62' ' ' PHE . 91.5 m -68.78 -39.67 80.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.396 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.41 -29.28 62.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.822 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.73 -47.29 82.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.734 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.53 -46.2 5.55 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.18 -9.37 7.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.734 ' CE1' HD22 ' A' ' 60' ' ' LEU . 8.2 p90 -128.47 153.49 47.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 0.803 . . . . 0.0 111.073 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' N ' HG23 ' A' ' 57' ' ' THR . 15.6 tt0 -68.68 109.0 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.522 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.74 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.094 . . . . 0.0 109.341 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -171.39 -56.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.58 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.4 -39.61 86.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.967 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -72.49 -43.58 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.737 HG12 HG21 ' A' ' 56' ' ' VAL . 55.9 mt -62.0 -49.85 82.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.392 1.058 . . . . 0.0 109.338 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.401 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -56.85 -42.0 78.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.667 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.7 m-85 -57.65 -46.54 84.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 110.956 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.985 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -71.61 -44.11 70.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.577 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.7 -48.66 76.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 111.024 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.87 -39.91 94.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.729 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -71.59 -39.03 70.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 110.302 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.6 mt -78.79 -3.52 44.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.09 . . . . 0.0 109.266 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.6 OUTLIER -85.22 -4.3 59.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.73 -170.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.59 -19.67 16.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.608 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -144.11 92.32 6.27 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.152 . . . . 0.0 109.297 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.92 155.71 43.31 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.52 1.8 . . . . 0.0 111.066 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' MET . 15.3 t0 -99.18 81.67 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.554 1.158 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.596 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 6.2 p -41.94 -27.83 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.499 1.125 . . . . 0.0 110.008 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.637 ' O ' HD12 ' A' ' 87' ' ' ILE . 25.3 mmtt -63.85 -49.03 74.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.465 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -65.98 -36.85 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.117 . . . . 0.0 111.036 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.406 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 4.1 ttm -61.78 -53.36 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.83 76.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.103 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.37 -39.9 79.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.667 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 56.6 m-20 -73.36 -42.58 62.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.985 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -58.22 -44.83 88.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.977 HG23 ' HA2' ' A' ' 95' ' ' GLY . 42.4 m -59.34 -22.06 60.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.415 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.32 -25.4 75.52 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.42 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -113.39 -44.5 3.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.746 . . . . 0.0 110.989 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.822 HD22 HG21 ' A' ' 59' ' ' ILE . 5.5 mt -66.23 -166.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -93.87 -6.24 46.16 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.434 1.083 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.977 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 105.76 -55.37 0.56 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.577 1.173 . . . . 0.0 111.012 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.47 -30.79 67.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.97 -31.21 69.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.78 -44.02 94.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.3 mtm180 -66.04 -39.72 90.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.44 -38.37 65.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.853 ' CE1' HD11 ' A' ' 89' ' ' LEU . 7.7 t80 -65.15 -49.9 68.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.904 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -63.71 -29.61 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.96 14.24 33.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.498 1.123 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.0 mt-10 -129.39 -30.07 2.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.757 . . . . 0.0 110.348 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.49 -37.82 10.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.918 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.2 t-105 -60.83 -43.58 92.14 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 107.998 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.794 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -74.93 -27.6 10.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.77 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.49 -43.07 88.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.551 HD11 HD21 ' A' ' 105' ' ' LEU . 3.3 mt -71.93 -32.82 67.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.794 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.91 -44.4 70.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.58 1.175 . . . . 0.0 109.26 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.71 -33.15 47.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.098 . . . . 0.0 110.065 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.499 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.7 -46.81 80.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.27 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -60.94 -15.37 30.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.364 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -91.66 -8.25 47.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.422 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -88.82 -161.87 0.8 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -112.45 -46.92 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.416 ' N ' ' CG2' ' A' ' 116' ' ' ILE . . . -85.7 5.62 31.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.57 42.56 95.52 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.592 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.21 136.54 25.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.501 0.765 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.77 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.04 146.99 33.15 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.553 1.817 . . . . 0.0 110.927 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.5 p -58.91 -16.74 19.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.44 -30.83 68.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.481 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.8 m-30 -98.4 -40.53 8.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.436 HD21 HG22 ' A' ' 119' ' ' ILE . 82.5 mt -47.73 -66.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -52.54 -69.58 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.158 . . . . 0.0 110.37 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.39 -173.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.08 127.56 50.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.37 113.08 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.265 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.89 133.59 49.41 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 61.63 149.03 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 131' ' ' ILE . 5.2 mp -86.17 142.11 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 131.16 13.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -136.26 166.54 23.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 110.219 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.431 1.082 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.404 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 49.07 -172.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.504 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -39.37 159.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.951 -179.905 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.824 ' C ' HD13 ' A' ' 28' ' ' LEU . 4.1 mt-30 -137.7 149.41 46.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.824 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -166.67 -171.01 1.74 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.454 1.096 . . . . 0.0 109.325 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HG2' ' N ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -91.08 146.48 23.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.225 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.565 ' CE2' ' HD2' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -118.04 -174.33 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 110.957 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.577 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -78.12 -166.91 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.436 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 8.4 pt-20 -111.49 -34.96 5.94 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 44.8 t -60.98 -17.68 53.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.7 mt -65.83 -11.67 48.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -95.3 27.09 3.45 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 110.255 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.439 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.8 mmtt -97.53 -7.36 31.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.82 174.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 20.1 m -154.7 -162.78 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.476 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -169.31 93.35 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.761 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 14.9 mmt -61.28 -24.78 66.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 t -72.95 -6.83 47.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -117.49 -38.25 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.509 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.76 153.09 9.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -92.1 122.85 34.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.065 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.42 -23.13 23.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.065 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.6 mt-10 -59.82 -38.86 83.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.684 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.98 -6.44 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.684 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -110.71 0.32 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.364 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.617 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 2.7 mmmm -66.07 -45.3 62.55 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.617 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.98 -28.63 9.05 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.441 1.759 . . . . 0.0 110.986 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 56.0 t90 -73.03 -47.51 44.32 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.711 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -64.38 -51.09 72.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.509 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 16.9 m -59.13 -39.25 81.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.7 tttt -72.16 -34.89 68.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.575 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 13.5 mmt180 -72.88 -50.4 24.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.271 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.723 ' HA ' HD12 ' A' ' 59' ' ' ILE . 28.3 m -61.06 -47.5 93.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.61 ' O ' ' N ' ' A' ' 61' ' ' GLY . 93.9 m -60.36 -41.69 94.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.59 -29.28 62.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 110.292 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.75 HG21 HD13 ' A' ' 93' ' ' LEU . 9.1 mt -57.3 -47.9 83.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.717 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.59 -46.76 5.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.61 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.28 -7.58 8.02 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.487 1.117 . . . . 0.0 111.006 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.664 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.8 p90 -129.6 156.67 43.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 0.815 . . . . 0.0 111.047 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -69.6 111.23 5.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.787 ' O ' HD12 ' A' ' 68' ' ' ILE . 3.0 m-20 -78.22 -169.62 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -154.94 -53.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 1.084 . . . . 0.0 109.252 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -63.51 -41.35 92.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.965 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -73.0 -41.5 59.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.391 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 64' ' ' ASP . 47.1 mt -63.31 -47.6 91.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.3 OUTLIER -59.22 -41.21 88.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.33 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.0 OUTLIER -56.93 -46.57 81.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 111.061 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.073 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.4 -46.29 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.236 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.607 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 5.0 m-30 -61.53 -49.53 76.34 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.27 -41.15 98.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.721 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -70.98 -39.64 72.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.171 . . . . 0.0 110.278 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 71' ' ' ILE . 62.3 mt -79.09 -6.07 55.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.24 -3.76 53.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -105.47 -171.44 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.47 -20.93 16.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.594 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -139.73 90.99 10.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.436 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -74.95 151.64 40.01 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.448 1.762 . . . . 0.0 111.011 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.405 ' OD1' ' HB2' ' A' ' 83' ' ' LYS . 63.6 t0 -96.47 98.37 10.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 1.4 t -55.55 -33.78 64.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.818 ' O ' HD12 ' A' ' 87' ' ' ILE . 32.9 mmtp -58.75 -48.17 82.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.434 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.32 -33.99 75.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.923 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 3.1 tpp -61.54 -52.63 63.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 111.004 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG3' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.13 -34.39 73.02 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.44 1.087 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -69.43 -40.57 80.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 44.7 m-20 -73.03 -46.05 54.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 71' ' ' ILE . 20.9 mt -59.08 -47.17 86.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.758 HG21 ' HG ' ' A' ' 28' ' ' LEU . 96.0 m -58.42 -22.34 53.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 110.404 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.431 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -70.28 -25.87 75.03 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -113.24 -37.6 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 0.775 . . . . 0.0 110.939 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.75 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -73.93 -168.56 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -93.48 -11.8 31.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.668 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 110.47 -56.01 0.48 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -35.09 79.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 0.721 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -71.07 -33.85 70.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.59 94.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG3' ' OE1' ' A' ' 86' ' ' GLN . 16.0 mtm180 -69.8 -40.05 76.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.87 -39.25 64.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.393 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.784 ' CE1' HD11 ' A' ' 89' ' ' LEU . 45.2 t80 -60.47 -50.16 74.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.515 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 83.5 mmm -68.1 -28.2 67.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.973 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -81.87 11.09 49.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.567 1.167 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.4 mm-40 -129.98 -28.26 2.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 0.74 . . . . 0.0 110.251 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.947 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.19 -38.99 9.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.933 ' N ' HD13 ' A' ' 105' ' ' LEU . 32.4 t-105 -60.45 -43.23 92.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.06 -27.19 10.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.42 -42.88 88.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.23 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.662 HD13 ' HE1' ' A' ' 40' ' ' MET . 13.1 mt -72.39 -32.87 66.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.19 -46.07 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 13.8 t -79.06 -32.69 44.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.989 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.561 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.02 -47.36 77.74 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.521 1.138 . . . . 0.0 109.226 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.509 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -60.16 -17.72 42.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.02 -11.43 50.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.236 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.28 -164.18 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.158 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -41.34 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.64 2.46 53.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.82 39.66 89.77 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.475 1.109 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -116.44 139.06 24.92 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.466 0.745 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -75.02 148.91 35.85 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 76.8 p -62.01 -17.24 56.54 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.414 1.071 . . . . 0.0 109.974 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.48 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -60.05 -29.47 68.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.355 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.478 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.6 m-30 -99.06 -35.91 9.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 125' ' ' GLU . 81.3 mt -54.29 -66.02 0.47 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.491 1.12 . . . . 0.0 109.215 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 124' ' ' LEU . 3.4 tp10 -37.34 -58.42 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.25 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.48 HD12 ' O ' ' A' ' 122' ' ' ALA . 3.5 mt -40.19 123.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 129' ' ' GLU . 7.8 mttt -50.47 -70.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -40.34 98.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.544 1.153 . . . . 0.0 109.368 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 127' ' ' LYS . 2.2 tt0 -67.62 121.34 15.68 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.495 1.122 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.19 58.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.554 1.159 . . . . 0.0 110.299 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.7 mm -122.53 76.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.17 65.48 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -149.65 170.56 18.4 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.403 1.065 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 72.27 -61.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.576 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.499 ' HE3' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? -129.54 172.93 11.06 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.759 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER -168.56 124.03 0.95 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.759 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.57 -171.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 ttmt -90.73 152.43 20.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.581 1.175 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -124.87 -176.57 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 111.039 179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.39 -170.25 1.17 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.384 1.053 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 1.8 pt-20 -109.74 -28.73 8.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.349 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 31.2 t -64.96 -17.09 64.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 108.35 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.601 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.1 mt -70.11 -6.99 37.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -96.46 25.61 4.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.417 ' CB ' HD21 ' A' ' 110' ' ' LEU . 4.2 mmtt -97.16 -7.6 32.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.13 171.88 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 30.5 m -149.8 -167.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 2.6 t0 -167.24 94.74 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.472 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 15.5 mmt -62.72 -24.82 67.86 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -71.44 -7.13 45.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.997 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -117.58 -38.68 3.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -108.92 151.6 11.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -88.47 129.86 35.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.62 -26.2 17.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm-40 -57.81 -38.24 75.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG11 ' CG1' ' A' ' 119' ' ' ILE . 30.7 m -70.04 -4.91 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.464 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.2 -8.52 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.74 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.29 -48.31 97.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.93 -27.71 9.92 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.557 1.819 . . . . 0.0 111.07 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 32.6 t90 -74.32 -41.7 60.7 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 56' ' ' VAL . 1.2 mt -74.28 -52.52 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 56' ' ' VAL . 86.3 m -56.56 -40.8 75.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 0.0 110.32 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.508 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 7.4 tttt -71.91 -40.84 68.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.206 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.586 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -61.56 -50.48 72.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.326 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.809 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.0 m -60.93 -45.72 97.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.639 ' O ' ' N ' ' A' ' 61' ' ' GLY . 79.2 m -61.38 -38.96 88.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -74.54 -30.39 61.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 56' ' ' VAL . 17.0 mt -57.86 -47.27 86.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.67 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.1 -46.96 5.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.0 -10.76 7.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.075 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.67 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.8 p90 -126.24 152.82 45.58 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.445 0.732 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.54 110.66 6.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' C ' HD12 ' A' ' 68' ' ' ILE . 10.2 m-20 -76.77 -155.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.45 -49.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.56 1.162 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.82 -42.17 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.494 1.122 . . . . 0.0 109.363 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.931 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.73 -43.17 77.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.142 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 64' ' ' ASP . 24.2 mt -61.88 -48.59 87.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.284 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.02 -42.03 75.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.3 m-85 -57.52 -46.65 83.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.85 -44.59 67.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.67 -49.09 76.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.96 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.08 -38.84 92.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.75 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -72.13 -40.03 68.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.446 1.091 . . . . 0.0 110.302 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD12 HG22 ' A' ' 71' ' ' ILE . 58.5 mt -78.14 -7.42 57.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -78.51 -3.43 43.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.75 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -106.12 -171.89 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.86 -21.17 16.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.561 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -139.02 89.83 12.41 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.358 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.522 ' HB2' ' HE3' ' A' ' 85' ' ' MET . 18.2 Cg_endo -74.97 152.67 41.22 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.514 1.797 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -98.04 105.18 17.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.498 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 94.9 p -62.23 -35.17 78.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.788 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.52 -50.08 75.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 109.327 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -35.12 79.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.522 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 3.8 ttm -61.95 -51.62 67.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -34.38 76.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.788 HD12 ' O ' ' A' ' 83' ' ' LYS . 2.8 mt -69.83 -37.3 72.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.19 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.628 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 62.1 m-20 -72.25 -43.99 63.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.972 HD21 HD11 ' A' ' 71' ' ' ILE . 16.1 mt -59.52 -45.18 92.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.747 HG23 ' HA2' ' A' ' 95' ' ' GLY . 41.6 m -58.35 -22.43 53.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.378 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.499 ' HA3' ' HE3' ' A' ' 26' ' ' MET . . . -71.74 -15.87 75.95 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.548 1.155 . . . . 0.0 111.045 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.611 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -123.97 -48.42 1.88 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 0.725 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.71 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -64.95 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -93.78 -12.73 28.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.747 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.05 -57.09 0.44 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -36.78 85.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.405 0.709 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -31.81 73.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.328 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.11 95.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.24 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -69.09 -40.52 78.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.274 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -73.63 -37.92 65.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 21.1 t80 -63.59 -49.92 71.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 1.105 . . . . 0.0 111.079 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 47.8 mmm -65.89 -33.47 75.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.937 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -78.9 11.82 26.23 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 0.0 111.011 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -127.62 -28.92 2.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 0.804 . . . . 0.0 110.269 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.959 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.69 -37.96 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.239 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.2 t-105 -59.25 -43.37 96.66 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.541 1.151 . . . . 0.0 108.044 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.01 9.47 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.441 1.759 . . . . 0.0 111.021 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.8 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.73 -43.09 90.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.377 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.608 HD11 HD21 ' A' ' 105' ' ' LEU . 5.2 mt -71.92 -32.95 67.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.78 -43.81 69.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 29.6 t -78.73 -33.0 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.062 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.11 -46.94 84.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.9 pt20 -62.02 -13.0 21.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.47 -5.9 50.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.77 -164.95 1.25 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.637 1.211 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.37 -43.5 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.03 0.84 52.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.463 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 71.11 37.38 63.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.428 1.08 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.501 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.5 mp -116.78 138.39 24.56 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.541 0.789 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.8 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.94 157.01 43.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.491 ' HA ' HD12 ' A' ' 124' ' ' LEU . 60.6 p -65.33 -16.03 63.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.92 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -58.44 -30.3 66.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.483 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 13.4 m-30 -98.78 -39.32 8.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.491 HD12 ' HA ' ' A' ' 121' ' ' SER . 26.0 mt -53.62 -67.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.529 1.143 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -50.64 -53.53 30.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.383 1.052 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.92 HD12 ' O ' ' A' ' 122' ' ' ALA . 6.6 mt -40.52 -57.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt 70.8 -68.86 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.356 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -51.01 135.69 24.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.248 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -140.3 87.78 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.19 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -66.4 137.43 56.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 131' ' ' ILE . 40.0 mm -118.45 106.63 19.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.51 149.91 7.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -91.7 153.74 19.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.39 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.8 ttp-105 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 -179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -42.48 -56.57 2.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 109.642 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.725 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -144.45 115.12 7.71 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.426 1.079 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' C ' HD13 ' A' ' 28' ' ' LEU . 1.9 tt0 -81.06 150.77 28.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.154 . . . . 0.0 110.266 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.692 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.87 -168.39 1.11 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.9 ttmt -103.26 145.84 29.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.4 OUTLIER -123.09 -170.77 2.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.026 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -87.79 -171.66 3.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.183 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -106.57 -34.2 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 34' ' ' LEU . 26.7 p -56.7 -19.52 17.06 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.61 1.194 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 ' HA ' ' CD1' ' A' ' 106' ' ' TRP . 7.4 mt -66.76 -10.51 47.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.83 21.14 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' CB ' HD21 ' A' ' 110' ' ' LEU . 13.8 mmtt -90.45 -7.48 52.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 1.113 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.02 172.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.481 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -151.8 -157.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.469 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 3.6 t0 -175.81 93.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 19.7 mmt -60.73 -25.89 66.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 t -72.71 -6.99 48.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.077 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.404 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.2 mmtp -117.04 -38.19 3.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.33 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.03 151.59 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' O ' HG22 ' A' ' 47' ' ' VAL . 16.7 m-20 -89.32 125.05 34.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.7 -25.58 21.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 0.0 109.261 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.854 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -58.63 -37.66 76.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 110.342 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.788 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.3 m -69.93 -6.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.356 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.788 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -112.16 -7.2 11.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 O-C-N 124.449 1.093 . . . . 0.0 109.24 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.747 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -57.34 -48.34 97.5 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.274 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.94 -27.57 10.01 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.604 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 41.0 t90 -73.1 -43.22 62.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 107.997 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 48' ' ' ILE . 0.8 OUTLIER -72.98 -52.05 23.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.594 1.184 . . . . 0.0 109.299 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 89.4 m -56.73 -40.47 75.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.393 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.502 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 4.7 tttp -72.24 -39.31 68.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -62.86 -49.94 72.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.781 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.1 m -61.53 -45.49 98.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' N ' ' A' ' 61' ' ' GLY . 97.3 m -60.22 -41.77 93.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.483 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -73.4 -29.4 62.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.358 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.854 HG21 HD22 ' A' ' 93' ' ' LEU . 13.7 mt -56.74 -47.79 82.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.59 -47.15 4.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.613 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.18 -9.39 6.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.113 . . . . 0.0 111.028 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -129.18 152.5 48.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 0.77 . . . . 0.0 110.983 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 57' ' ' THR . 0.9 OUTLIER -69.53 110.53 4.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.312 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.58 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -72.57 -152.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.79 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.326 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.48 -40.25 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.908 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.25 -43.21 74.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.519 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.8 mt -61.53 -49.84 82.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.99 -41.96 71.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.1 m-85 -57.6 -46.98 83.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.048 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.63 -42.88 62.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.547 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.79 -48.95 74.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -64.3 -38.54 91.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.378 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.77 -38.04 64.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.3 mt -79.76 -3.31 47.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.95 -6.73 59.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.311 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -99.22 -172.52 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.602 1.189 . . . . 0.0 109.32 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.17 -19.28 15.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.37 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.16 88.52 10.1 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.432 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.4 Cg_endo -75.04 154.05 42.02 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.522 1.801 . . . . 0.0 110.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -104.1 86.54 2.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.573 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 4.6 p -44.55 -25.83 0.3 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.979 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.679 ' O ' HD12 ' A' ' 87' ' ' ILE . 18.6 mmtp -62.38 -48.72 78.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -33.91 72.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 4.3 ttm -61.81 -52.93 62.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.482 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.74 -34.34 75.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 26' ' ' MET . 12.8 mt -66.29 -40.87 87.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 36.7 m-20 -74.78 -40.05 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.048 HD21 HD11 ' A' ' 71' ' ' ILE . 13.9 mt -58.78 -44.15 90.62 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.87 HG23 ' HA2' ' A' ' 95' ' ' GLY . 31.3 m -57.74 -22.66 48.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.166 . . . . 0.0 110.346 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.485 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -69.25 -23.6 76.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.549 1.155 . . . . 0.0 111.053 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.602 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.72 -43.82 2.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.854 HD22 HG21 ' A' ' 59' ' ' ILE . 2.8 mt -64.06 -167.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 46.9 m-80 -93.6 -17.06 23.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.87 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 121.7 -53.32 0.72 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.57 1.169 . . . . 0.0 111.021 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -31.31 58.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 0.734 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -66.65 -31.75 72.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.557 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.54 -38.26 89.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.138 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.482 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 12.0 mtm180 -71.13 -40.41 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -73.31 -36.83 66.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.848 ' CE1' HD11 ' A' ' 89' ' ' LEU . 20.1 t80 -64.68 -48.93 72.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.525 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 70.5 mmm -67.72 -32.83 73.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.49 13.13 23.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 2.2 mt-10 -128.45 -29.77 2.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.419 0.717 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.972 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.87 -36.2 10.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.583 1.177 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.916 ' N ' HD13 ' A' ' 105' ' ' LEU . 34.4 t-105 -61.19 -43.21 89.51 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.016 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.791 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -74.98 -27.71 9.82 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.492 1.785 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.781 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.22 -43.41 87.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 105' ' ' LEU . 3.0 mt -71.93 -32.51 67.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.791 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.21 -45.96 72.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 46.7 t -77.87 -32.54 52.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.037 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.517 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -66.1 -46.62 76.99 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.489 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.29 -16.77 49.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 110.292 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -88.64 -10.98 46.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.448 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.4 OUTLIER -87.72 -162.73 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.169 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.3 -40.73 3.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.492 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -89.7 9.36 27.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 59.02 40.69 95.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.446 1.091 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.528 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -119.77 137.58 25.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.498 0.763 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.781 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.99 149.01 36.13 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.514 1.797 . . . . 0.0 110.98 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.411 ' HA ' HD12 ' A' ' 124' ' ' LEU . 93.5 p -59.72 -16.78 29.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.996 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.87 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.79 -28.67 67.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.558 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -99.81 -38.5 8.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.448 HD11 ' ND2' ' A' ' 115' ' ' ASN . 45.6 mt -52.79 -69.28 0.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -43.43 -50.48 6.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.596 1.185 . . . . 0.0 110.253 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.87 HD12 ' O ' ' A' ' 122' ' ' ALA . 10.4 mt -52.62 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -47.08 129.64 12.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -71.2 60.31 0.28 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.09 53.51 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.317 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 62.66 129.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.526 HD12 ' N ' ' A' ' 132' ' ' LYS . 0.1 OUTLIER -90.99 129.41 41.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.526 ' N ' HD12 ' A' ' 131' ' ' ILE . 0.0 OUTLIER 174.61 44.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.251 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -165.24 158.21 16.18 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.42 1.075 . . . . 0.0 110.315 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.504 ' CB ' ' SD ' ' A' ' 26' ' ' MET . 2.3 m-70 -56.89 -32.91 66.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.525 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.769 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.29 108.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.827 ' C ' HD13 ' A' ' 28' ' ' LEU . 1.8 tp60 -84.04 154.92 22.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.317 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.827 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.81 -173.36 1.83 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 1.8 tttm -91.33 152.2 20.55 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.814 ' HE1' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -111.43 162.56 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.425 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -73.31 -170.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -99.84 -29.7 12.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.29 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 56.9 m -65.06 -26.92 68.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.531 1.145 . . . . 0.0 108.323 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mt -62.26 -13.96 33.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -92.88 26.71 2.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.519 1.137 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtp -101.36 -10.53 20.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.15 174.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.8 m -153.17 -157.5 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 109.267 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.434 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.7 t0 -176.82 92.93 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.562 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.5 mmt -60.31 -25.13 65.55 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.477 1.11 . . . . 0.0 110.972 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.3 t -72.3 -7.41 49.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.005 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -117.29 -38.0 3.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.53 150.72 12.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.347 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' HB3' HG22 ' A' ' 47' ' ' VAL . 2.6 m-20 -90.14 128.38 36.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.956 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.6 -21.08 20.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.956 ' N ' HD13 ' A' ' 45' ' ' LEU . 1.9 mt-10 -60.26 -39.08 85.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.371 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.782 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.3 m -69.8 -6.62 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.416 1.073 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.807 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -112.23 6.03 8.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 2.8 mmmm -70.25 -46.18 20.72 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -75.01 -28.31 9.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.561 1.822 . . . . 0.0 111.053 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.591 ' CH2' ' HG3' ' A' ' 55' ' ' ARG . 62.9 t90 -72.23 -47.61 49.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.017 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.807 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -62.8 -50.71 78.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.293 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.505 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 11.8 m -60.5 -38.46 84.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.395 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -71.7 -36.23 70.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.591 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.1 mmt180 -71.73 -49.78 36.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.7 m -63.9 -42.84 97.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.419 1.075 . . . . 0.0 109.264 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.598 ' O ' ' N ' ' A' ' 61' ' ' GLY . 53.7 m -64.89 -40.74 95.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.444 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -73.53 -29.42 62.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.702 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.5 mt -57.19 -47.37 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.61 -46.99 5.26 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.608 1.193 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.1 -10.17 6.99 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.583 1.177 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.0 p90 -128.38 154.19 46.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -72.19 111.41 7.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.682 ' C ' HD12 ' A' ' 68' ' ' ILE . 1.9 m-20 -74.41 -151.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -169.05 -52.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.565 1.165 . . . . 0.0 109.253 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.72 -43.86 96.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 109.315 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.924 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.5 -41.5 78.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.307 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.682 HD12 ' C ' ' A' ' 64' ' ' ASP . 35.5 mt -62.7 -46.14 97.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -61.99 -40.41 95.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.603 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 2.2 m-85 -57.0 -46.24 82.44 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -70.77 -45.89 71.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.608 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 6.0 m-30 -62.55 -48.89 77.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.946 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -62.43 -39.16 92.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.258 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.712 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.1 mp0 -73.0 -38.33 66.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.142 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.3 mt -79.57 -2.71 43.65 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.415 1.072 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.11 -4.97 59.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.6 m -101.53 -174.29 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.16 -18.69 16.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.075 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.39 84.75 19.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.06 152.44 40.49 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.43 1.752 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.41 ' C ' ' N ' ' A' ' 83' ' ' LYS . 19.1 t0 -104.38 90.91 3.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.555 1.159 . . . . 0.0 109.285 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.584 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 0.6 OUTLIER -47.21 -23.39 0.52 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 110.02 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.734 ' O ' HD12 ' A' ' 87' ' ' ILE . 4.6 mmtp -68.07 -49.12 63.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.42 ' O ' ' ND2' ' A' ' 88' ' ' ASN . 0.0 OUTLIER -70.45 -30.88 67.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 111.041 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 11.2 ttm -63.07 -53.25 56.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -71.48 -32.88 68.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.814 HD11 ' HE1' ' A' ' 30' ' ' PHE . 7.4 mt -62.14 -41.02 89.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.603 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 67.9 m-20 -72.84 -35.25 67.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' A' ' 71' ' ' ILE . 18.3 mt -65.42 -42.81 92.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 1.016 HG23 ' HA2' ' A' ' 95' ' ' GLY . 13.3 m -56.94 -23.73 47.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.425 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.537 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -71.35 -15.49 74.97 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.529 1.143 . . . . 0.0 111.047 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.455 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -122.53 -48.71 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 0.789 . . . . 0.0 111.033 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.669 HD22 HG21 ' A' ' 59' ' ' ILE . 3.6 mt -62.34 -165.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -93.55 -8.86 40.11 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 1.016 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 108.63 -46.71 1.13 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.504 1.127 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -76.59 -32.99 58.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 0.791 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.436 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.3 t-20 -70.99 -31.12 67.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.513 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -65.44 -46.14 81.04 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.434 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 10.4 mtp180 -66.98 -41.8 86.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -72.29 -35.9 68.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.772 ' CE1' HD11 ' A' ' 89' ' ' LEU . 16.4 t80 -59.3 -45.46 91.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.546 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 84.6 mmm -64.11 -33.51 75.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -77.67 15.42 7.78 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.497 1.123 . . . . 0.0 111.067 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.6 mt-10 -127.89 -33.79 2.21 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 0.778 . . . . 0.0 110.272 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.996 HD13 ' N ' ' A' ' 106' ' ' TRP . 0.0 OUTLIER -97.49 -34.32 11.05 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.996 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.24 -42.79 87.46 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.813 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -75.01 -28.16 9.39 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.461 1.769 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.733 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.19 -41.93 84.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.6 1.187 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.562 HD13 ' HE1' ' A' ' 40' ' ' MET . 9.0 mt -72.02 -33.63 68.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.813 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.33 -42.31 70.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.594 1.184 . . . . 0.0 109.259 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.4 t -78.22 -40.11 38.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.175 . . . . 0.0 109.951 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.57 90.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.597 1.186 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.0 pt20 -60.28 -17.71 44.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.57 1.169 . . . . 0.0 110.262 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.72 -11.1 49.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.428 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.31 -162.05 0.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.17 -44.31 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.17 1.94 48.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.542 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 70.7 36.99 67.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.542 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -116.1 132.76 23.09 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.733 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.98 149.32 36.61 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.523 1.801 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p -60.42 -14.5 19.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.31 -28.12 62.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 93.4 m-85 -106.08 -42.2 5.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.461 1.101 . . . . 0.0 110.968 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD21 HG22 ' A' ' 119' ' ' ILE . 66.7 mt -43.43 -65.71 0.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.41 -71.6 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.51 111.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.66 115.57 1.87 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.46 156.99 24.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.18 173.63 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.237 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 131' ' ' ILE . 0.3 OUTLIER -109.64 80.28 1.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.476 ' CG2' ' N ' ' A' ' 132' ' ' LYS . 0.6 OUTLIER 55.86 164.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.34 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.476 ' N ' ' CG2' ' A' ' 131' ' ' ILE . 6.3 mttt 60.48 150.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -147.45 145.48 29.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 0.0 110.331 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.7 p . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.601 ' CG ' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER -135.16 -42.88 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.685 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.601 ' SD ' ' CG ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -117.33 -51.64 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.968 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.839 ' C ' HD13 ' A' ' 28' ' ' LEU . 38.2 tp60 67.79 134.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.227 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.839 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -172.08 -170.3 0.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -89.06 152.58 21.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.618 1.199 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -123.46 -167.84 1.68 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -87.87 -166.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 12.7 pt-20 -110.35 -44.57 3.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 63.7 m -52.95 -21.79 4.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 108.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.69 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.7 mt -61.33 -15.54 36.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -89.89 13.14 15.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.414 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.1 OUTLIER -80.16 -8.29 59.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 53.56 173.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 39' ' ' ASP . 10.7 m -152.46 -153.92 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 7.9 t0 -179.69 94.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.685 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 13.1 mmt -60.89 -25.63 66.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -6.93 43.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 mmmt -118.59 -37.84 3.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.58 151.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.3 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.401 ' HB3' HG22 ' A' ' 47' ' ' VAL . 6.3 m-20 -90.02 132.86 35.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.05 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -96.51 -22.16 17.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 109.245 -179.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.05 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -61.08 -38.69 87.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.319 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.699 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.2 m -69.94 -6.51 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.699 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.78 -3.69 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.616 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -61.68 -45.37 93.19 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.94 -28.25 9.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.527 1.804 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.592 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 59.6 t90 -74.68 -48.16 27.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 108.019 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.838 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -67.15 -52.19 45.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.411 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 96.0 m -57.05 -39.34 74.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 110.419 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 3.7 tttp -74.95 -39.01 61.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.557 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -65.32 -50.67 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.872 ' HA ' HD12 ' A' ' 59' ' ' ILE . 18.8 m -60.63 -40.45 84.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.28 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.667 HG23 ' C ' ' A' ' 62' ' ' PHE . 99.0 m -68.76 -39.0 80.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -29.27 62.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.575 1.172 . . . . 0.0 110.33 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.886 HG21 HD13 ' A' ' 93' ' ' LEU . 14.3 mt -56.79 -47.23 83.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.619 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.56 -45.78 5.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.51 -10.91 7.17 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.667 ' C ' HG23 ' A' ' 57' ' ' THR . 10.2 p90 -128.04 153.68 46.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 0.765 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' N ' HG23 ' A' ' 57' ' ' THR . 0.8 OUTLIER -72.5 109.76 6.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.182 -179.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 4.7 m-20 -76.27 -151.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 2.3 m-20 -169.09 -46.96 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.33 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.435 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -65.59 -43.2 94.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.41 -42.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 109.33 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.785 HG12 HG21 ' A' ' 56' ' ' VAL . 50.3 mt -61.52 -49.43 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.157 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.6 OUTLIER -55.56 -42.35 74.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.649 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.6 m-85 -57.63 -46.86 83.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -71.7 -43.78 69.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.585 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.55 76.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.441 1.088 . . . . 0.0 110.988 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -64.99 -38.12 89.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 109.291 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.731 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.65 -38.03 65.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.406 ' CB ' HD23 ' A' ' 45' ' ' LEU . 15.0 mt -79.54 -1.61 38.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 109.34 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.69 -3.42 58.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.731 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.0 m -103.32 -172.86 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.9 -20.28 16.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.245 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.478 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.2 OUTLIER -140.77 89.13 10.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.421 1.076 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.1 Cg_endo -74.95 149.47 36.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' MET . 34.2 t0 -97.3 87.05 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.57 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 16.0 p -43.99 -26.41 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.057 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 14.5 mmtp -63.49 -44.23 94.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -69.51 -36.63 76.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.998 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 1.8 ttm -60.81 -53.9 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 111.009 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.401 ' OE1' ' HG2' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -66.47 -34.44 77.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.5 mt -70.05 -39.96 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.649 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 51.4 m-20 -73.99 -42.1 60.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 11.9 mt -59.23 -46.31 88.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.796 HG21 ' HG ' ' A' ' 28' ' ' LEU . 62.7 m -58.27 -26.48 63.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.623 1.202 . . . . 0.0 110.466 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -64.45 -23.3 68.4 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.481 1.113 . . . . 0.0 110.969 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.667 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -116.4 -43.25 2.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 111.005 -179.934 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.886 HD13 HG21 ' A' ' 59' ' ' ILE . 4.7 mt -68.91 -165.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -94.27 -24.11 17.58 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.483 1.115 . . . . 0.0 109.328 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.714 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 122.94 -47.67 1.0 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -72.59 -37.1 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.471 ' ND2' HG23 ' A' ' 59' ' ' ILE . 1.5 m-20 -67.4 -34.29 76.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.97 -37.71 88.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.401 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 83.2 mtm-85 -69.63 -39.52 77.09 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.179 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -73.81 -41.76 61.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.823 ' CE1' HD11 ' A' ' 89' ' ' LEU . 24.7 t80 -59.83 -49.12 78.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 111.008 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.547 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -63.81 -34.97 79.12 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -80.55 15.83 17.17 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.562 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 4.2 mt-10 -127.91 -31.56 2.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 0.763 . . . . 0.0 110.324 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.991 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.19 -35.56 10.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.867 ' N ' HD13 ' A' ' 105' ' ' LEU . 26.6 t-105 -60.55 -43.03 91.38 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 107.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -28.16 9.43 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 111.009 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.753 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -59.11 -44.42 91.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.664 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.0 mt -71.33 -32.88 69.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.231 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.53 -45.83 69.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.341 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.9 -32.53 45.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.547 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.77 81.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.499 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.01 -15.49 32.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.267 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.77 -9.74 48.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -87.64 -162.47 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 109.324 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.12 -43.24 4.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.87 4.79 43.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.416 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 65.4 40.42 96.36 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.477 ' CG2' HD21 ' A' ' 124' ' ' LEU . 1.4 mp -117.29 137.84 24.39 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.556 0.797 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.753 ' HG3' HD23 ' A' ' 108' ' ' LEU . 17.9 Cg_endo -75.1 142.73 27.91 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 83.5 p -58.87 -17.1 20.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.957 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.21 -28.94 68.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -100.0 -39.06 8.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.477 HD21 ' CG2' ' A' ' 119' ' ' ILE . 90.5 mt -47.4 -67.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.148 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -54.74 -66.42 0.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.562 HD22 ' OE1' ' A' ' 129' ' ' GLU . 15.7 mt -49.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -172.09 98.9 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 48.77 76.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.562 ' OE1' HD22 ' A' ' 126' ' ' LEU . 1.3 tp10 -60.29 -65.54 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.333 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -171.03 80.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 110.385 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 131' ' ' ILE . 5.2 mp -85.64 115.2 26.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -66.36 100.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 24.8 pt20 -40.0 117.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.298 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 1.1 m . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' ' 24' ' ' SER . 0.2 OUTLIER 80.77 -51.18 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.581 ' CE ' ' HA ' ' A' ' 88' ' ' ASN . 0.1 OUTLIER -163.54 149.22 11.36 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 -179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.754 ' C ' HD13 ' A' ' 28' ' ' LEU . 63.9 mm-40 -139.84 148.69 42.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.754 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -167.81 -171.19 1.54 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.346 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.7 tttp -95.71 160.54 14.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.616 ' CD2' ' CD ' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -106.65 171.17 7.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.617 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -79.37 -165.51 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -107.23 -9.39 16.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 58.0 m -94.01 -23.09 18.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.385 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.9 mt -61.84 -13.3 22.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.454 1.096 . . . . 0.0 109.382 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.46 26.02 3.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -98.78 -11.51 21.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.531 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 55.38 173.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 6.5 m -152.45 -158.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -177.11 97.01 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.693 ' HE1' HD13 ' A' ' 109' ' ' LEU . 11.5 mmt -62.85 -24.92 68.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.5 t -71.33 -6.98 44.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -118.19 -38.79 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.06 151.73 12.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 117' ' ' ALA . 6.8 m-20 -87.08 137.3 32.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.865 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -100.52 -25.97 14.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.865 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.95 -38.34 78.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 110.282 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.783 HG23 ' CD1' ' A' ' 48' ' ' ILE . 20.1 m -69.59 -7.0 7.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.783 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.1 OUTLIER -111.25 -7.06 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 109.27 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.713 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.13 -48.7 96.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.567 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -74.99 -27.5 9.97 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.613 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 28.8 t90 -73.61 -41.31 63.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 108.025 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.498 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.33 -51.99 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.412 ' HA ' HG22 ' A' ' 56' ' ' VAL . 89.9 m -57.41 -39.64 76.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.359 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 6.5 tttt -71.95 -38.77 69.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -64.67 -49.58 70.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.571 1.169 . . . . 0.0 110.396 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.776 ' HA ' HD12 ' A' ' 59' ' ' ILE . 35.2 m -63.77 -41.93 94.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.578 ' O ' ' N ' ' A' ' 61' ' ' GLY . 43.8 m -63.19 -42.16 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.427 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -73.16 -29.13 62.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.312 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.924 HG21 HD22 ' A' ' 93' ' ' LEU . 10.7 mt -56.89 -47.09 83.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.197 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.765 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.98 -46.4 5.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.377 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.71 -9.59 7.21 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.3 p90 -129.64 154.16 47.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.33 110.11 5.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.765 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -73.97 -150.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.364 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.2 OUTLIER -170.35 -51.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.269 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.09 -41.37 92.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.67 -43.42 70.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.232 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 64' ' ' ASP . 16.2 mt -62.06 -48.97 86.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.118 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.1 mt-10 -55.38 -42.27 73.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.653 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.0 m-85 -57.95 -46.51 84.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.035 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.69 -42.31 71.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.569 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -65.27 -48.97 71.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -64.18 -37.64 88.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.681 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -74.41 -39.04 62.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -79.29 -0.11 31.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.12 -3.83 59.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.123 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -103.58 -171.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.45 -18.83 16.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -143.07 90.15 7.55 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.463 ' HB2' ' HE1' ' A' ' 85' ' ' MET . 18.2 Cg_endo -75.1 153.8 41.57 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.412 1.743 . . . . 0.0 110.955 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -98.58 87.16 3.74 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 109.243 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.749 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 27.5 p -47.12 -23.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.806 ' O ' HD12 ' A' ' 87' ' ' ILE . 20.0 mmtt -67.1 -49.69 64.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.32 -33.97 67.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.463 ' HE1' ' HB2' ' A' ' 80' ' ' PRO . 20.2 ttm -61.54 -52.53 64.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.457 ' HG2' ' N ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -70.73 -34.41 71.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.378 1.049 . . . . 0.0 110.31 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -66.72 -41.74 88.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.342 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.653 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 20.0 m-20 -66.59 -39.44 88.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.035 HD21 HD11 ' A' ' 71' ' ' ILE . 14.3 mt -59.65 -39.62 85.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.158 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.835 HG23 ' HA2' ' A' ' 95' ' ' GLY . 1.9 m -57.4 -31.87 66.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.421 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -62.68 -13.84 47.88 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.548 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.4 OUTLIER -125.3 -53.68 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 0.804 . . . . 0.0 111.023 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.924 HD22 HG21 ' A' ' 59' ' ' ILE . 6.1 mt -55.77 -167.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.182 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -93.0 -20.62 20.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.835 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 129.33 -61.32 0.66 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.572 1.17 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -28.16 65.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 0.781 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.539 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -66.82 -32.51 73.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 109.311 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -66.11 -45.7 80.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -68.54 -43.39 76.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.91 -36.91 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.165 . . . . 0.0 110.278 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.6 t80 -61.38 -44.92 96.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 111.06 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.749 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.3 OUTLIER -69.91 -32.82 71.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.412 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -73.74 10.12 7.5 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.551 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 3.6 mt-10 -126.75 -30.2 2.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.62 0.835 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.991 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.52 -35.35 10.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.899 ' N ' HD13 ' A' ' 105' ' ' LEU . 24.5 t-105 -60.7 -43.33 91.76 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 108.047 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.817 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.1 Cg_endo -75.03 -27.84 9.62 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.792 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.43 -43.59 88.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.693 HD13 ' HE1' ' A' ' 40' ' ' MET . 21.4 mt -71.42 -33.08 69.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.19 -44.86 71.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.9 -33.23 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.958 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.481 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.08 -46.21 82.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 1.103 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.495 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -62.21 -15.04 43.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.363 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.63 -10.92 44.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 1.189 . . . . 0.0 110.292 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -89.98 -166.2 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.35 -41.02 4.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . . . -87.02 7.35 28.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 60.06 40.15 96.7 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.659 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -119.52 138.67 26.83 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.525 0.78 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.792 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.02 148.82 35.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 p -60.04 -17.0 35.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.961 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.75 -28.71 67.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.526 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 7.8 m-30 -100.16 -40.27 7.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 110.986 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.6 mt -48.17 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -60.64 -76.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 mt -54.45 114.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.459 ' CG ' ' O ' ' A' ' 127' ' ' LYS . 0.5 OUTLIER -122.31 77.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -163.26 161.18 24.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 128' ' ' LYS . 7.4 tp10 33.0 90.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.247 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -161.64 136.23 7.08 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.329 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 3.4 mm -46.29 112.8 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -67.54 -85.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.286 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.42 130.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.293 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 95.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.2 OUTLIER 81.37 -50.05 0.26 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.602 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.781 ' O ' HG23 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -166.99 109.95 0.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.591 ' C ' HD13 ' A' ' 28' ' ' LEU . 3.8 mm-40 -83.13 147.67 27.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.393 1.058 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.704 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -162.43 -170.69 2.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 109.232 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.72 148.45 22.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.537 ' HE1' HD11 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -106.41 -155.06 0.53 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.638 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -108.19 -166.72 1.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -114.74 -10.98 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.243 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 5.1 m -90.28 -14.17 33.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.557 1.16 . . . . 0.0 108.249 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.726 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.6 mt -70.1 -5.87 29.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -78.25 2.0 19.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.311 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' O ' ' NE1' ' A' ' 106' ' ' TRP . 15.6 mttt -101.62 88.35 3.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 36' ' ' LYS . 1.7 mptp? -44.89 170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 19.7 m -134.94 -158.63 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 8.2 t0 -178.17 95.63 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.439 1.087 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.476 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 12.8 mmt -61.96 -24.9 67.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.048 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -7.07 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.968 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.95 -38.43 3.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.097 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.72 151.18 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.483 ' HB3' HG22 ' A' ' 47' ' ' VAL . 1.7 m-20 -88.4 135.73 33.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.246 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.872 HD22 ' O ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -98.79 -24.42 15.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.833 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.3 mt-10 -59.27 -38.32 79.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.695 HG23 ' CD1' ' A' ' 48' ' ' ILE . 22.7 m -70.24 -6.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.413 1.07 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.695 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.95 -9.88 11.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.666 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -55.91 -46.97 99.68 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.25 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.597 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.94 -28.22 9.46 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.425 1.75 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 26.4 t90 -74.36 -43.39 56.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.79 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.17 -52.01 23.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.41 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 94.1 m -56.67 -38.83 72.76 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.501 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 8.0 tttt -73.82 -38.99 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.539 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -66.18 -50.07 65.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 110.249 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 52' ' ' ILE . 24.4 m -63.62 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.631 1.207 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 61' ' ' GLY . 45.1 m -65.98 -42.3 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.588 1.18 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -72.69 -28.97 63.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 110.338 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 8.4 mt -56.68 -46.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.26 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.604 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -99.15 -45.99 5.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 125.93 -9.06 7.59 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.8 p90 -130.57 155.28 46.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 0.774 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -66.72 105.98 1.71 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.551 1.157 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.604 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -68.21 -153.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.576 1.172 . . . . 0.0 109.259 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.1 m-20 -172.86 -50.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.589 1.181 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.612 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.57 -44.8 96.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.975 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.5 m -71.25 -41.35 74.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.233 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.74 HG12 HG21 ' A' ' 56' ' ' VAL . 37.7 mt -61.44 -50.4 80.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.434 ' O ' ' ND2' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -55.95 -42.88 76.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.348 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.656 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.6 m-85 -57.46 -46.47 83.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.975 HD12 ' O ' ' A' ' 67' ' ' VAL . 3.2 mt -71.07 -44.79 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.565 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.73 -48.43 77.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 111.036 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.2 m-80 -63.9 -39.28 93.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.745 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.79 -39.33 66.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 mt -78.3 -5.62 52.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 0.5 OUTLIER -81.12 -4.15 54.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.137 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.745 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -103.58 -176.56 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.508 ' N ' ' CD ' ' A' ' 78' ' ' LYS . 0.1 OUTLIER -94.62 -19.94 20.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.337 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.562 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.59 90.04 10.11 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.0 Cg_endo -75.03 158.75 41.9 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.414 1.744 . . . . 0.0 110.953 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -107.79 108.68 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.539 ' CB ' ' CE ' ' A' ' 102' ' ' MET . 12.0 p -63.66 -35.11 79.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.671 ' O ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -58.53 -48.12 81.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.517 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -68.86 -35.68 77.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.428 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 3.8 ttm -61.72 -53.33 57.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 110.97 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.6 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.65 -34.47 77.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.781 HG23 ' O ' ' A' ' 26' ' ' MET . 4.2 mt -63.57 -41.44 92.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.559 1.162 . . . . 0.0 109.333 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.656 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 65.3 m-20 -73.33 -38.4 65.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.192 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' A' ' 71' ' ' ILE . 12.1 mt -60.75 -44.83 96.22 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 109.344 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.879 HG23 ' HA2' ' A' ' 95' ' ' GLY . 17.2 m -58.39 -21.66 51.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.507 1.129 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.503 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.84 -23.44 77.93 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -117.22 -45.24 2.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 110.971 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.704 HD22 HG21 ' A' ' 59' ' ' ILE . 1.8 mt -64.73 -168.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -93.45 -7.89 43.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.162 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.879 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.92 -47.55 1.04 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.032 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -35.15 63.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 0.795 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -67.46 -31.2 71.2 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.5 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -63.8 -40.52 96.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -68.63 -40.52 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -73.4 -36.96 66.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.814 ' CE1' HD11 ' A' ' 89' ' ' LEU . 29.5 t80 -61.18 -49.88 75.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.539 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 66.8 mmm -71.52 -14.43 62.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.942 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.441 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.42 2.46 86.44 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.442 1.089 . . . . 0.0 111.066 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 2.2 mt-10 -130.26 -14.75 3.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 0.779 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.757 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.25 -43.77 6.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.147 . . . . 0.0 109.277 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.702 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 13.5 t-105 -59.69 -41.98 89.0 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.787 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.05 -28.17 9.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.48 1.779 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.14 -44.22 92.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.518 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 7.7 mt -73.0 -32.36 65.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.787 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.28 -46.16 69.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.54 -32.86 54.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 110.036 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.518 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.05 -46.41 84.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.478 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -63.28 -16.13 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -88.66 -12.2 43.12 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -84.95 -164.8 1.04 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 116' ' ' ILE . 0.2 OUTLIER -112.93 -39.28 3.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.99 4.75 49.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 65.3 40.47 96.59 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.552 1.157 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.562 HD11 HG11 ' A' ' 47' ' ' VAL . 1.1 mp -120.48 136.86 25.57 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.5 Cg_endo -74.99 154.66 42.72 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.528 1.804 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 53.5 p -63.05 -16.39 59.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 109.961 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.28 68.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 109.326 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 5.8 m-30 -99.64 -38.33 8.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD21 HG22 ' A' ' 119' ' ' ILE . 70.2 mt -51.63 -68.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -55.4 -79.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.81 -173.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 -173.5 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -164.94 122.34 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -68.61 153.92 42.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.07 79.35 1.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 32.3 mm -66.01 121.63 15.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.14 91.08 4.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.93 138.7 39.02 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 110.343 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.247 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.462 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 172.26 -42.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.622 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.531 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.5 mpp? -124.52 -63.53 1.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.843 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.8 OUTLIER 74.78 118.42 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.319 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.843 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -168.18 -173.15 1.94 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -82.01 148.74 28.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -96.02 -160.75 0.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.866 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -106.18 -159.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.19 -18.25 13.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -18.96 23.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 108.268 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.866 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt -64.51 -11.89 38.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -79.64 4.6 15.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.506 ' CB ' HD21 ' A' ' 110' ' ' LEU . 11.5 mtmt -100.77 89.08 3.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' O ' ' A' ' 36' ' ' LYS . 0.0 OUTLIER -47.0 174.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' CD1' ' A' ' 110' ' ' LEU . 14.7 m -142.07 -158.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -175.59 96.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.87 ' HA ' ' HE2' ' A' ' 40' ' ' MET . 19.0 mmt -60.91 -24.63 66.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.9 -7.51 51.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.407 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 1.9 mmmm -117.0 -37.66 3.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.13 151.41 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.312 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -91.66 124.2 35.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.953 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.27 -23.44 22.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.953 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -59.61 -38.96 82.67 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.348 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 ' CD1' ' A' ' 48' ' ' ILE . 16.0 m -69.8 -7.22 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.736 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -111.16 6.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.615 ' HD2' ' CE1' ' A' ' 72' ' ' PHE . 3.5 mmmm -70.42 -46.28 19.38 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.602 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.4 Cg_endo -74.99 -28.85 8.84 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.422 1.748 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 55.0 t90 -71.04 -47.45 58.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 108.013 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.7 OUTLIER -63.82 -51.45 69.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.521 ' HA ' HG22 ' A' ' 56' ' ' VAL . 16.4 m -59.14 -39.14 81.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.384 1.053 . . . . 0.0 110.382 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -71.44 -36.65 71.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.601 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -72.07 -50.13 30.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.411 1.069 . . . . 0.0 110.312 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 52' ' ' ILE . 35.4 m -63.06 -42.58 97.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.625 ' O ' ' N ' ' A' ' 61' ' ' GLY . 55.4 m -65.64 -40.65 92.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.44 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.37 -29.51 62.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 56' ' ' VAL . 10.8 mt -57.45 -47.67 84.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.29 -47.18 5.02 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.481 1.113 . . . . 0.0 109.359 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.625 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.75 -10.97 6.69 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.029 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.586 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.9 p90 -127.61 154.02 45.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.784 . . . . 0.0 111.022 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -73.79 111.1 8.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.599 ' C ' HD12 ' A' ' 68' ' ' ILE . 4.8 m-20 -73.48 -150.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -167.62 -53.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -63.46 -42.39 96.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.332 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.913 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.7 OUTLIER -70.69 -43.41 77.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.725 HG23 ' CZ ' ' A' ' 72' ' ' PHE . 36.3 mt -61.89 -46.44 96.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.535 1.147 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -61.67 -41.04 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.638 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -57.19 -44.87 84.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.969 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.038 HD11 HD21 ' A' ' 89' ' ' LEU . 3.3 mt -71.13 -46.87 64.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.725 ' CZ ' HG23 ' A' ' 68' ' ' ILE . 7.5 m-30 -62.66 -49.29 75.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -60.96 -40.5 93.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.238 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.728 ' O ' HG22 ' A' ' 77' ' ' VAL . 1.4 mp0 -72.5 -38.36 68.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 33.3 mt -79.51 -2.03 40.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -85.51 -7.08 59.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.201 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.8 m -98.31 -172.1 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.36 -19.54 14.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.471 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -138.42 85.22 18.24 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.436 1.085 . . . . 0.0 109.345 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.425 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -74.97 147.74 34.47 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.442 1.759 . . . . 0.0 111.026 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' ' 84' ' ' MET . 17.7 t70 -99.88 85.83 3.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.703 ' OG ' HD13 ' A' ' 34' ' ' LEU . 1.5 t -39.74 -32.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.954 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.572 ' O ' HD12 ' A' ' 87' ' ' ILE . 1.4 mttt -58.95 -50.53 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.477 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -67.58 -30.96 70.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.423 ' HE3' ' HB2' ' A' ' 80' ' ' PRO . 9.7 ttm -63.16 -53.89 46.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.978 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.544 ' OE1' HD11 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -71.61 -33.42 68.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.698 HG23 ' H ' ' A' ' 27' ' ' GLN . 7.7 mt -62.82 -39.24 84.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.173 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.638 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 53.8 m-20 -71.99 -38.15 69.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.038 HD21 HD11 ' A' ' 71' ' ' ILE . 23.5 mt -63.93 -41.63 97.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.972 HG23 ' HA2' ' A' ' 95' ' ' GLY . 19.5 m -58.3 -22.02 51.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.394 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.531 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -74.91 -12.85 82.96 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.67 -49.92 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 0.768 . . . . 0.0 110.986 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 59' ' ' ILE . 6.4 mt -63.8 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -93.94 -8.48 40.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.972 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 106.02 -52.35 0.7 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.514 1.134 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -69.3 -33.8 73.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 0.805 . . . . 0.0 109.318 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.456 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 1.2 m120 -70.97 -30.85 67.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.231 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.78 -43.57 88.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.425 ' HG3' ' NE2' ' A' ' 86' ' ' GLN . 3.0 mtp180 -68.75 -41.69 78.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -73.13 -36.66 66.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 110.299 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.749 ' CE1' HD11 ' A' ' 89' ' ' LEU . 6.3 t80 -59.21 -47.54 84.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.53 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 84.9 mmm -63.43 -28.02 69.69 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.92 14.45 19.87 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.577 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mt-10 -129.4 -32.5 1.97 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.98 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.11 -35.33 10.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.334 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.911 ' N ' HD13 ' A' ' 105' ' ' LEU . 36.5 t-105 -61.43 -42.32 84.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.764 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -75.05 -27.36 10.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.493 1.786 . . . . 0.0 111.02 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.796 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.63 -44.24 89.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.579 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 15.4 mt -71.16 -32.84 69.42 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.764 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.02 -46.67 68.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.98 -33.4 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.002 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.33 -47.25 82.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.469 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.0 pt20 -60.81 -15.66 32.36 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -88.84 -12.24 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.27 -165.3 1.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.156 . . . . 0.0 109.319 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.3 -42.67 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.266 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.93 1.31 50.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.49 39.09 87.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.523 1.14 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.599 HD11 HG11 ' A' ' 47' ' ' VAL . 1.2 mp -117.26 139.85 26.51 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.796 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.1 Cg_endo -74.99 151.78 39.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.494 1.787 . . . . 0.0 110.953 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.406 ' HA ' HD12 ' A' ' 124' ' ' LEU . 53.3 p -62.78 -17.25 60.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.98 -28.78 67.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.9 m-30 -98.97 -38.25 9.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.416 HD11 ' ND2' ' A' ' 115' ' ' ASN . 48.4 mt -53.28 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -49.97 -63.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.254 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.09 -172.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -89.11 129.94 35.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.7 134.08 55.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.31 139.43 47.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.38 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.19 136.82 58.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.573 1.171 . . . . 0.0 110.26 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.4 mm -63.36 133.2 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.2 tttp -86.22 165.01 16.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -50.48 169.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.612 ' CD2' ' SD ' ' A' ' 26' ' ' MET . 16.7 p80 -112.94 39.53 2.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 1.075 . . . . 0.0 109.561 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 1.031 ' HE2' ' HA ' ' A' ' 88' ' ' ASN . 0.0 OUTLIER 176.37 155.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.042 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.795 ' C ' HD13 ' A' ' 28' ' ' LEU . 5.8 mt-30 -152.12 145.27 24.61 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -171.07 -171.88 1.04 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.609 1.193 . . . . 0.0 109.323 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.8 tttt -88.96 154.3 20.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.556 ' CD1' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -116.48 -170.88 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.738 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -88.73 -168.47 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.228 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -105.71 -44.83 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 68.5 m -52.29 -22.1 4.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 108.258 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.738 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 6.1 mt -64.83 -11.3 35.65 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -93.79 22.23 5.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.433 ' CB ' HD21 ' A' ' 110' ' ' LEU . 5.7 mmtt -92.0 -8.42 46.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.495 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.71 171.89 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.54 1.15 . . . . 0.0 109.343 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.48 HG12 ' CD1' ' A' ' 110' ' ' LEU . 10.5 m -152.45 -158.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.2 t0 -176.42 96.32 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.371 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.524 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -62.8 -25.1 68.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.962 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -6.65 41.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -117.89 -38.65 3.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.2 151.16 11.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.246 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.409 ' HB3' HG22 ' A' ' 47' ' ' VAL . 4.8 m-20 -88.74 127.44 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.041 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.03 -26.61 18.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.041 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.1 mt-10 -58.92 -39.33 81.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.715 HG23 ' CD1' ' A' ' 48' ' ' ILE . 17.1 m -65.66 -9.92 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.356 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.715 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -107.23 -0.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.926 ' HE2' HD21 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -58.4 -48.44 96.97 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.504 1.127 . . . . 0.0 109.365 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -28.22 9.34 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.616 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 33.5 t90 -72.13 -47.28 52.2 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.556 1.16 . . . . 0.0 108.055 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.842 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.8 OUTLIER -68.88 -52.06 38.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.453 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 85.9 m -57.03 -40.35 76.56 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.614 1.196 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -72.54 -39.06 67.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -68.0 -50.64 54.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 110.233 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.842 HG22 ' O ' ' A' ' 52' ' ' ILE . 31.1 m -62.74 -40.19 87.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.591 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.3 m -69.33 -40.71 77.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.424 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -73.13 -29.02 62.58 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.934 HG21 HD22 ' A' ' 93' ' ' LEU . 9.6 mt -56.64 -47.21 82.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.51 -46.71 5.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.088 . . . . 0.0 109.273 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.591 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.87 -9.98 7.1 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.46 1.1 . . . . 0.0 111.021 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.2 p90 -127.37 154.72 44.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 110.929 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.57 111.24 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.587 1.179 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.826 ' O ' HD12 ' A' ' 68' ' ' ILE . 36.9 m-20 -77.96 -170.65 1.99 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -151.81 -52.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.372 179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.14 -40.06 87.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.938 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.36 -44.98 71.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.826 HD12 ' O ' ' A' ' 64' ' ' ASP . 44.8 mt -62.19 -45.69 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -57.23 -42.65 81.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 88' ' ' ASN . 3.7 m-85 -57.78 -47.6 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.085 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -72.22 -41.41 66.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.782 ' CE1' HG23 ' A' ' 68' ' ' ILE . 4.1 m-30 -64.29 -48.82 74.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -65.72 -38.81 90.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.685 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -72.97 -39.03 66.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.27 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 71' ' ' ILE . 26.2 mt -79.41 -3.18 45.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.153 . . . . 0.0 109.334 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.07 -9.51 59.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.685 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -97.57 -169.27 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 78' ' ' LYS . 0.3 OUTLIER -103.96 -19.0 14.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.355 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.595 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.29 88.87 9.78 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.402 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.3 Cg_endo -75.02 152.09 40.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 110.988 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -97.89 86.36 3.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.583 ' HB3' ' CZ2' ' A' ' 106' ' ' TRP . 74.2 p -45.63 -25.08 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.453 1.096 . . . . 0.0 109.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.684 ' O ' HD12 ' A' ' 87' ' ' ILE . 7.8 mmtt -62.99 -51.05 68.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.442 ' HE3' ' HA ' ' A' ' 84' ' ' MET . 17.7 mmm -70.88 -28.72 64.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 110.964 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.476 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 5.0 tpp -59.36 -53.17 61.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.398 1.061 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.505 ' OE1' ' HB3' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -71.15 -33.93 70.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.5 mt -64.58 -40.95 90.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.518 1.136 . . . . 0.0 109.217 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 1.031 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 65.4 m-20 -73.48 -41.69 62.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.365 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.085 HD21 HD11 ' A' ' 71' ' ' ILE . 14.4 mt -62.65 -45.57 92.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.354 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.753 HG21 ' HG ' ' A' ' 28' ' ' LEU . 85.8 m -59.34 -22.52 61.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.97 -28.13 72.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.57 1.169 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.699 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -110.99 -41.31 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.934 HD22 HG21 ' A' ' 59' ' ' ILE . 13.9 mt -69.44 -167.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.082 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -93.26 -14.6 26.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.75 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 112.78 -50.89 0.74 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.19 -37.72 78.29 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.584 0.814 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -67.71 -31.07 70.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' HB3' ' OE1' ' A' ' 86' ' ' GLN . . . -65.57 -38.04 88.4 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 18.3 mtm180 -70.74 -40.68 72.6 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -73.23 -37.11 66.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.261 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.819 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.18 -49.3 74.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.481 ' CE ' ' HB2' ' A' ' 82' ' ' SER . 79.2 mmm -66.3 -34.22 77.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.172 . . . . 0.0 110.992 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -79.35 11.87 29.0 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.572 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.53 -29.48 2.18 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 0.75 . . . . 0.0 110.247 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.958 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.58 -36.87 10.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.924 ' N ' HD13 ' A' ' 105' ' ' LEU . 31.4 t-105 -61.53 -42.7 85.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.776 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.07 -27.84 9.56 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.391 1.732 . . . . 0.0 110.974 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.766 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.13 -41.24 83.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.524 HD13 ' HE1' ' A' ' 40' ' ' MET . 6.6 mt -73.36 -33.11 64.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.413 1.071 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.776 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.15 -44.61 71.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.282 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -35.27 51.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.47 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -63.93 -46.06 86.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.3 pt20 -62.37 -16.39 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -89.48 -11.1 43.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.578 1.174 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.444 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.97 -165.87 1.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.57 -43.21 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 109.269 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.77 7.42 26.96 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.275 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.417 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.76 39.73 97.85 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.663 HD11 HG11 ' A' ' 47' ' ' VAL . 1.4 mp -117.65 137.68 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.54 0.788 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.766 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -74.97 148.19 35.06 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.502 1.79 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 p -58.66 -17.01 18.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.956 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.77 -28.34 67.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.496 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.6 m-30 -100.62 -40.73 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.561 1.163 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.444 HD11 ' ND2' ' A' ' 115' ' ' ASN . 77.8 mt -47.84 -66.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -42.66 -56.25 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.564 1.165 . . . . 0.0 110.371 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.3 mt -45.86 -35.62 4.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 124' ' ' LEU . 2.1 mmtm 64.96 45.01 3.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.595 1.184 . . . . 0.0 109.37 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -141.63 74.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.248 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -74.29 -73.36 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 0.0 110.296 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 52.52 77.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.253 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 10.7 mm -133.08 120.96 42.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -40.77 -72.22 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? 76.14 129.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.1 ttm-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.402 1.064 . . . . 0.0 110.269 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB3' ' SD ' ' A' ' 26' ' ' MET . 0.3 OUTLIER 175.42 -34.17 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.557 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.545 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 0.0 OUTLIER -169.38 -90.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.973 -179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.706 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.2 OUTLIER 86.15 127.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.324 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -166.31 -172.46 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' O ' HD23 ' A' ' 28' ' ' LEU . 79.0 tttt -84.47 149.16 26.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.562 ' CD1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -115.96 -178.17 3.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 111.003 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.629 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -75.47 -170.78 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -103.48 -43.9 5.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 81.1 m -51.7 -23.63 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 108.343 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 2.8 mt -61.81 -14.12 30.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -92.12 25.76 2.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.418 ' CB ' HD21 ' A' ' 110' ' ' LEU . 3.3 mmtt -96.8 -8.16 31.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.02 173.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.239 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -152.35 -160.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 5.3 t0 -173.84 94.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.715 ' HE1' HD13 ' A' ' 109' ' ' LEU . 16.6 mmt -61.8 -25.58 67.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.8 -6.77 43.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.968 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -117.49 -38.59 3.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.64 151.06 12.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -86.44 128.93 35.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.951 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.3 -27.87 17.32 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.951 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.3 OUTLIER -57.78 -37.63 74.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.734 HG23 ' CD1' ' A' ' 48' ' ' ILE . 21.5 m -69.03 -6.55 6.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.734 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -110.37 -8.79 11.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.577 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -56.68 -48.12 97.79 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.577 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -74.95 -28.19 9.47 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.601 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 31.7 t90 -74.22 -42.6 59.49 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.029 -1.101 . . . . 0.0 108.029 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.806 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.1 mt -73.78 -51.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.409 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 52.5 m -57.73 -37.63 73.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.444 1.09 . . . . 0.0 110.437 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.506 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.3 OUTLIER -74.48 -41.43 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.301 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.568 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -63.54 -50.59 68.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.806 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -61.65 -41.05 88.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.443 1.089 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' GLY . 59.2 m -67.78 -42.13 82.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -72.73 -28.69 62.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.802 HG21 HD22 ' A' ' 93' ' ' LEU . 9.3 mt -56.79 -47.31 82.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.02 -46.53 5.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.359 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 128.25 -11.79 6.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 11.3 p90 -127.73 154.2 45.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' N ' HG23 ' A' ' 57' ' ' THR . 3.6 tt0 -72.57 108.35 5.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.245 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' OD1' ' CD2' ' A' ' 60' ' ' LEU . 4.9 m-20 -71.31 -151.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -167.76 -51.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' O ' ' CD2' ' A' ' 70' ' ' PHE . 0.3 OUTLIER -64.54 -42.04 94.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.951 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.8 OUTLIER -71.7 -43.14 70.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.742 HG12 HG21 ' A' ' 56' ' ' VAL . 49.6 mt -61.63 -49.41 84.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER -56.65 -41.84 77.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CE1' ' ND2' ' A' ' 88' ' ' ASN . 2.5 m-85 -57.38 -46.48 83.36 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.585 1.178 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.018 HD11 HD21 ' A' ' 89' ' ' LEU . 3.1 mt -71.73 -46.03 63.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.148 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.574 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -61.43 -48.69 80.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.979 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.5 m-80 -64.91 -36.82 85.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.727 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -73.35 -38.66 65.66 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 71' ' ' ILE . 20.0 mt -79.04 -4.7 51.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.78 -3.9 55.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.113 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.727 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.4 m -104.89 -173.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.15 . . . . 0.0 109.274 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.96 -17.81 16.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.563 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.2 88.84 8.9 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.419 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.4 Cg_endo -75.03 151.14 39.03 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' C ' ' N ' ' A' ' 83' ' ' LYS . 26.3 t0 -98.42 82.84 2.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.588 ' HB2' ' CZ3' ' A' ' 106' ' ' TRP . 14.3 t -42.39 -26.7 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.613 ' O ' HD12 ' A' ' 87' ' ' ILE . 15.4 mmtp -61.3 -52.22 65.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.584 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -67.15 -35.33 79.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 8.6 ttm -60.25 -52.29 65.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 111.066 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.501 ' OE1' ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -66.53 -34.53 78.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.613 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.3 mt -69.31 -40.57 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CE1' ' A' ' 70' ' ' PHE . 25.9 m120 -64.71 -43.69 92.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.93 -43.87 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.849 HG23 ' HA2' ' A' ' 95' ' ' GLY . 5.9 m -57.12 -22.19 37.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 110.377 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.545 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -73.65 -15.88 79.24 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.519 1.137 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.599 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -124.81 -51.15 1.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 0.788 . . . . 0.0 111.014 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.802 HD22 HG21 ' A' ' 59' ' ' ILE . 5.7 mt -60.78 -164.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -93.91 -14.83 25.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.362 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.849 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 113.47 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -75.63 -38.64 58.78 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.567 0.804 . . . . 0.0 109.351 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -63.06 -30.64 71.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.501 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -62.7 -41.09 98.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.466 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 11.5 mtm180 -69.08 -39.29 79.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -73.39 -37.13 66.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.739 ' CE1' HD11 ' A' ' 89' ' ' LEU . 37.4 t80 -63.45 -48.91 75.78 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 111.004 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 91.2 mmm -66.74 -33.05 74.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.69 10.93 21.83 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -128.64 -28.55 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 0.785 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.44 -38.18 9.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.938 ' N ' HD13 ' A' ' 105' ' ' LEU . 19.7 t-105 -59.87 -42.93 93.44 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 107.976 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.823 ' HA ' HD22 ' A' ' 110' ' ' LEU . 17.9 Cg_endo -75.08 -27.77 9.6 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.802 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.775 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.67 -42.9 89.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD13 ' HE1' ' A' ' 40' ' ' MET . 16.8 mt -71.91 -33.7 68.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.823 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -54.12 -40.69 67.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 t -78.39 -43.02 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.011 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.426 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -57.77 -46.66 84.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.343 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.475 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.1 pt20 -60.26 -18.34 48.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.62 -12.1 40.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.429 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -85.26 -163.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.98 -42.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.23 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.53 0.78 51.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.43 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.3 39.06 81.99 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.558 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -120.3 139.75 29.06 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.45 0.735 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.775 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.3 Cg_endo -75.01 152.16 40.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.408 ' HA ' HD12 ' A' ' 124' ' ' LEU . 36.0 p -61.78 -17.07 54.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.415 1.072 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.9 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.96 -29.11 68.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.586 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.2 m-30 -98.77 -35.9 9.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.429 HD11 ' ND2' ' A' ' 115' ' ' ASN . 46.7 mt -56.57 -68.41 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -51.23 -64.49 0.8 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.9 HD12 ' O ' ' A' ' 122' ' ' ALA . 14.9 mt -40.67 150.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -120.44 164.26 16.65 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -157.03 139.82 15.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.94 111.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.406 1.066 . . . . 0.0 110.232 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -166.63 75.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.353 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 25.5 mm -119.91 89.64 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 12.3 mttm 63.01 93.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.52 1.138 . . . . 0.0 109.318 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.47 141.71 56.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.485 ' HB2' ' SD ' ' A' ' 26' ' ' MET . 0.0 OUTLIER -99.47 169.76 9.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.613 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' CE ' ' HA3' ' A' ' 91' ' ' GLY . 3.8 mpp? 61.22 163.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -173.53 44.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.289 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.783 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -82.71 -170.89 3.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 109.315 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -89.17 155.6 19.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.545 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -117.19 -167.06 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.537 ' HB2' ' HG2' ' A' ' 99' ' ' ARG . . . -90.9 -165.9 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.57 -38.74 5.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 10.2 p -55.16 -19.6 8.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 108.287 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.793 HD13 ' SD ' ' A' ' 102' ' ' MET . 6.7 mt -68.4 -8.6 41.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -94.77 28.5 2.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.33 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' CB ' HD21 ' A' ' 110' ' ' LEU . 2.1 mmtt -101.13 -6.19 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.541 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 55.09 176.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 80' ' ' PRO . 33.3 m -155.4 -166.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -170.02 95.75 0.27 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 16.9 mmt -63.62 -23.52 67.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.451 1.095 . . . . 0.0 110.965 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.64 -6.94 47.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -117.45 -39.38 3.18 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.104 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -107.48 153.28 8.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.243 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' O ' HG22 ' A' ' 47' ' ' VAL . 32.3 m-20 -89.91 124.57 34.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.243 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -88.53 -26.41 22.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -57.86 -37.99 74.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.165 . . . . 0.0 110.289 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.72 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.8 m -69.32 -7.25 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.603 1.189 . . . . 0.0 109.333 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.749 HG22 HD12 ' A' ' 52' ' ' ILE . 0.4 OUTLIER -109.25 -9.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.6 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -56.67 -48.81 96.55 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.08 -28.13 9.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.524 1.802 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.606 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 34.7 t90 -72.9 -44.49 61.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 108.039 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.778 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -72.65 -51.48 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.352 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.432 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 93.3 m -56.86 -39.39 74.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.377 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.512 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 12.2 tttt -73.41 -37.79 65.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -67.58 -50.02 60.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.778 HG22 ' O ' ' A' ' 52' ' ' ILE . 23.7 m -63.16 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.56 ' O ' ' N ' ' A' ' 61' ' ' GLY . 52.7 m -67.45 -42.98 82.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -72.37 -28.35 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.94 HG21 HD22 ' A' ' 93' ' ' LEU . 7.1 mt -56.53 -47.88 81.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.47 -46.99 5.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.08 -9.27 7.08 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.566 1.166 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.635 ' CE1' HD22 ' A' ' 60' ' ' LEU . 6.3 p90 -128.1 151.26 49.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 0.794 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -67.22 111.05 3.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.868 ' O ' HD12 ' A' ' 68' ' ' ILE . 46.5 m-20 -76.51 -170.18 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -152.78 -52.94 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -41.99 94.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.925 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.28 -44.2 73.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.868 HD12 ' O ' ' A' ' 64' ' ' ASP . 55.2 mt -62.12 -48.33 88.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.36 -42.56 74.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.648 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 1.7 m-85 -57.15 -47.07 82.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.952 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.92 -44.73 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.544 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -62.62 -48.73 78.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 1.077 . . . . 0.0 111.05 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.4 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.5 m-80 -64.29 -41.64 96.78 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.491 1.119 . . . . 0.0 109.241 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.742 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -70.91 -38.02 72.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.246 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 71' ' ' ILE . 14.3 mt -78.49 -4.95 51.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -85.02 -3.54 58.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.742 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.0 m -103.74 -171.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.098 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.97 -21.07 16.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.614 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.78 93.34 6.8 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.94 158.31 42.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.463 1.77 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -102.51 92.58 4.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.604 1.19 . . . . 0.0 109.3 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.786 ' HA ' ' HE1' ' A' ' 102' ' ' MET . 54.6 p -55.52 -18.51 7.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.813 ' O ' HD12 ' A' ' 87' ' ' ILE . 38.0 mmtt -69.66 -50.44 43.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.449 ' HE2' ' O ' ' A' ' 84' ' ' MET . 0.0 OUTLIER -70.96 -29.36 65.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.045 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.487 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.8 tpp -61.7 -53.79 51.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.947 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.464 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -70.2 -35.71 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.341 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.813 HD12 ' O ' ' A' ' 83' ' ' LYS . 6.7 mt -64.43 -41.36 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.648 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 34.4 m-20 -74.67 -42.39 58.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.952 HD21 HD11 ' A' ' 71' ' ' ILE . 8.9 mt -58.51 -46.83 85.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 48.6 m -58.29 -21.92 50.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.502 ' HA3' ' CE ' ' A' ' 26' ' ' MET . . . -70.86 -23.59 77.82 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.147 . . . . 0.0 111.053 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.5 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -115.39 -44.48 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 111.039 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.94 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -66.18 -167.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -93.59 -5.81 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 104.53 -58.27 0.49 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -34.73 79.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.81 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.08 -30.93 70.24 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.16 -40.24 95.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.16 . . . . 0.0 109.306 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.537 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 8.8 mtp180 -69.35 -39.67 77.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -74.08 -36.82 64.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.554 1.159 . . . . 0.0 110.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.811 ' CE1' HD11 ' A' ' 89' ' ' LEU . 28.4 t80 -63.17 -50.24 71.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.07 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.793 ' SD ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -67.3 -33.06 74.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -78.44 10.94 27.02 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.7 mt-10 -128.63 -27.8 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 0.723 . . . . 0.0 110.32 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.955 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.93 -37.88 10.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.921 ' N ' HD13 ' A' ' 105' ' ' LEU . 27.1 t-105 -60.97 -43.34 90.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.798 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.95 -27.69 9.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.425 1.75 . . . . 0.0 111.064 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.797 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.5 -43.24 88.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.549 HD11 HD21 ' A' ' 105' ' ' LEU . 3.5 mt -71.93 -32.79 67.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.575 1.172 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.798 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.09 -44.9 71.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.273 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.26 -32.7 49.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.495 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.04 -46.91 79.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.483 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.9 pt20 -61.66 -14.91 35.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -90.51 -10.88 41.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.5 -163.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -111.16 -43.99 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.79 2.0 47.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.59 39.49 86.57 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.47 1.106 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.527 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -118.58 137.89 25.28 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.459 0.741 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.797 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.05 152.11 40.11 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.412 ' HA ' HD12 ' A' ' 124' ' ' LEU . 22.4 p -62.24 -17.21 57.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.16 -29.53 68.73 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.52 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 8.7 m-30 -98.98 -37.72 9.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 111.072 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.44 HD21 HG22 ' A' ' 119' ' ' ILE . 51.4 mt -52.92 -68.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -50.26 -72.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 18.4 mt -59.27 107.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.41 62.43 0.52 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.243 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -62.26 178.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -64.5 102.14 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.317 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.66 112.4 7.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.58 HG22 ' O ' ' A' ' 131' ' ' ILE . 36.2 mm -120.51 67.36 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.424 1.077 . . . . 0.0 109.24 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -79.89 155.09 27.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -170.89 149.02 2.94 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.392 1.057 . . . . 0.0 110.275 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 9.8 ttm180 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.26 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.46 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 0.1 OUTLIER 71.53 -57.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.539 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.513 ' SD ' ' N ' ' A' ' 26' ' ' MET . 0.4 OUTLIER -172.22 141.73 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.939 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.673 ' C ' HD13 ' A' ' 28' ' ' LEU . 61.8 mm-40 -127.72 139.43 52.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 110.364 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.875 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -168.1 -169.49 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.7 tttp -103.05 156.55 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.628 ' HB2' HD12 ' A' ' 34' ' ' LEU . 0.5 OUTLIER -120.32 -170.6 2.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.571 1.169 . . . . 0.0 110.997 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.522 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -78.61 -169.26 1.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.423 ' C ' ' N ' ' A' ' 34' ' ' LEU . 14.2 pt-20 -105.78 -46.52 4.12 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.26 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.41 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 31.8 m -48.98 -23.56 1.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 1.156 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.628 HD12 ' HB2' ' A' ' 30' ' ' PHE . 2.8 mt -55.82 -18.6 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -90.77 34.87 0.89 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' O ' ' O ' ' A' ' 37' ' ' LYS . 10.6 mmtt -105.67 -5.01 20.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.25 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.52 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 53.24 172.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 110' ' ' LEU . 9.0 m -153.55 -160.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.583 1.177 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 6.7 t0 -177.49 97.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.286 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 15.4 mmt -64.56 -22.81 67.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.1 t -73.55 -6.81 48.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.016 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -116.62 -38.12 3.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.83 153.81 11.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 -91.82 124.51 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -89.28 -24.29 22.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.908 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -58.52 -39.19 79.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.692 HG23 ' CD1' ' A' ' 48' ' ' ILE . 15.6 m -69.28 -7.78 8.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.692 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -108.02 -9.05 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.592 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -55.16 -46.96 99.59 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.2 Cg_endo -75.04 -28.19 9.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.566 ' CZ3' ' HG3' ' A' ' 55' ' ' ARG . 23.9 t90 -74.43 -42.77 58.58 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -74.15 -51.99 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.429 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 89.5 m -56.59 -37.42 70.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.351 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 23.9 tttt -75.3 -40.83 58.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.566 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.1 OUTLIER -64.31 -50.81 66.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 110.274 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 52' ' ' ILE . 15.3 m -60.84 -40.57 85.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.564 ' O ' ' N ' ' A' ' 61' ' ' GLY . 76.8 m -69.15 -41.32 77.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.442 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -73.19 -28.74 62.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.296 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.727 HD12 ' HA ' ' A' ' 56' ' ' VAL . 9.6 mt -56.58 -47.16 82.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.722 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.08 -46.73 5.23 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.9 -11.32 6.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 60' ' ' LEU . 4.6 p90 -127.08 153.39 46.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' N ' HG23 ' A' ' 57' ' ' THR . 1.0 OUTLIER -67.2 110.1 3.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.454 1.096 . . . . 0.0 110.354 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.85 ' O ' HD12 ' A' ' 68' ' ' ILE . 49.8 m-20 -76.76 -170.24 1.52 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -152.56 -53.15 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.47 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.3 OUTLIER -64.13 -40.79 90.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.1 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.899 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -71.61 -44.54 69.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 56' ' ' VAL . 52.4 mt -61.84 -48.28 89.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.128 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 1.6 mt-10 -55.33 -43.08 74.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.654 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.1 m-85 -56.92 -47.1 81.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.562 1.164 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -72.54 -45.28 59.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.576 ' CD2' ' NZ ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -61.43 -48.64 80.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.987 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.54 -44.62 90.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.736 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -66.92 -39.13 87.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.319 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 71' ' ' ILE . 25.9 mt -79.49 -8.61 59.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.4 OUTLIER -80.29 -5.14 55.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.736 HG22 ' O ' ' A' ' 74' ' ' GLN . 2.9 m -102.51 -173.01 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -97.26 -21.47 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.62 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -140.87 93.72 8.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.447 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.6 Cg_endo -74.93 157.71 42.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.471 1.774 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -104.07 85.28 2.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.628 ' HB2' ' CH2' ' A' ' 106' ' ' TRP . 28.5 t -50.14 -22.01 1.52 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.808 ' O ' HD12 ' A' ' 87' ' ' ILE . 31.7 mmtp -65.04 -51.51 61.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.411 ' CA ' ' CE ' ' A' ' 84' ' ' MET . 17.6 mmm -71.14 -29.51 65.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.449 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 4.0 tpp -59.04 -52.72 64.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 111.016 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.447 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -70.74 -33.44 70.83 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.808 HD12 ' O ' ' A' ' 83' ' ' LYS . 5.5 mt -69.84 -40.69 79.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 27.5 m-20 -73.76 -42.15 61.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' A' ' 71' ' ' ILE . 12.8 mt -58.04 -45.44 87.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.543 1.152 . . . . 0.0 109.367 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.875 HG21 ' HG ' ' A' ' 28' ' ' LEU . 81.4 m -56.62 -29.61 62.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.421 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.404 ' HA3' ' HE2' ' A' ' 26' ' ' MET . . . -62.92 -16.65 57.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.11 . . . . 0.0 111.03 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.628 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -122.68 -45.59 2.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 0.772 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 59' ' ' ILE . 2.4 mt -65.78 -169.12 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -93.54 -10.05 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.256 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.729 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.0 -45.69 1.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -37.43 56.84 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.433 0.725 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.94 -34.72 79.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.564 1.165 . . . . 0.0 109.263 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.472 ' HA ' HD12 ' A' ' 93' ' ' LEU . . . -62.57 -42.17 99.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.447 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 32.8 mtm180 -67.98 -39.67 83.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -73.49 -36.86 65.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.249 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.78 ' CE1' HD11 ' A' ' 89' ' ' LEU . 49.1 t80 -62.55 -49.65 74.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 106' ' ' TRP . 89.9 mmm -71.67 -16.67 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.44 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -87.08 2.73 87.05 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.453 1.096 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' O ' ' CD1' ' A' ' 108' ' ' LEU . 1.5 mm-40 -130.24 -15.46 3.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 0.806 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.651 HD11 HD11 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -100.22 -44.96 5.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.696 ' N ' ' CD ' ' A' ' 107' ' ' PRO . 7.7 t-105 -58.55 -42.26 93.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 108.004 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.743 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.2 Cg_endo -75.03 -28.29 9.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.814 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -59.6 -44.27 93.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.501 ' HA ' ' HB3' ' A' ' 112' ' ' ALA . 3.6 mt -72.45 -33.66 67.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.743 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -54.01 -45.04 71.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 40.9 t -78.16 -33.0 50.5 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 110.027 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.501 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -65.21 -46.47 80.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.484 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.8 pt20 -61.94 -15.19 41.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -90.1 -11.76 40.36 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.3 OUTLIER -85.42 -164.88 1.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.82 -44.88 6.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.91 2.84 44.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.366 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 67.84 40.21 89.54 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.533 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.12 137.7 24.16 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.814 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -75.08 152.81 40.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.521 1.8 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 91.2 p -62.43 -16.7 56.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.26 68.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.432 1.083 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.578 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.4 m-30 -99.8 -35.35 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.418 HD11 ' ND2' ' A' ' 115' ' ' ASN . 52.2 mt -56.66 -68.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.246 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -51.94 -68.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.303 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mt -56.01 -176.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.01 -177.4 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.82 174.48 10.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -38.98 143.93 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.234 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.45 75.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.1 mm -107.96 75.03 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 66.44 91.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -38.96 129.74 1.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.303 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 87' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.441 ' C ' ' SD ' ' A' ' 26' ' ' MET . 67.3 m-70 -75.92 -2.34 29.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.588 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.513 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -135.62 -69.25 0.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 111.049 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.781 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.0 OUTLIER 87.8 125.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.828 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -168.54 -172.18 1.61 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 30' ' ' PHE . 14.3 ttmt -94.81 157.13 16.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.568 ' CZ ' ' HG2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -123.31 -169.63 1.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 111.039 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.67 -165.95 1.33 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.86 -42.35 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 90.1 m -50.1 -24.12 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 108.308 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.673 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.9 mt -60.68 -14.54 21.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.05 17.05 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' CB ' HD21 ' A' ' 110' ' ' LEU . 9.5 mmtt -87.26 -11.89 48.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' C ' HG13 ' A' ' 38' ' ' VAL . 0.1 OUTLIER 57.17 169.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.1 . . . . 0.0 109.292 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.9 m -154.49 152.93 8.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.491 ' O ' HG13 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -124.64 96.41 4.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.468 ' HE1' HD13 ' A' ' 109' ' ' LEU . 13.2 mmt -65.23 -20.53 66.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.046 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.1 -7.48 51.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.56 -36.75 3.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -107.95 150.61 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -89.53 122.25 32.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.573 1.171 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.013 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -86.28 -20.02 29.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.013 ' N ' HD13 ' A' ' 45' ' ' LEU . 3.3 mm-40 -61.87 -38.85 89.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.35 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG23 ' CD1' ' A' ' 48' ' ' ILE . 13.5 m -73.49 -3.19 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.787 ' O ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -113.6 0.49 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.668 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 20.2 mmmt -70.69 -42.43 13.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.668 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.03 -28.44 9.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 40.4 t90 -74.64 -41.47 60.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 108.034 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.787 HD12 ' O ' ' A' ' 48' ' ' ILE . 1.1 mt -73.45 -51.26 26.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.358 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 97.3 m -58.43 -38.52 77.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 0.5 OUTLIER -74.23 -37.46 63.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.564 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 13.5 mmt-85 -67.38 -50.34 60.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.791 ' HA ' HD12 ' A' ' 59' ' ' ILE . 22.3 m -61.61 -42.99 96.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.58 HG23 ' C ' ' A' ' 62' ' ' PHE . 74.4 m -63.69 -42.65 97.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.6 -28.77 62.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.879 HG21 HD22 ' A' ' 93' ' ' LEU . 10.5 mt -56.7 -47.41 82.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -98.66 -46.86 5.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.0 -9.3 7.1 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.58 1.175 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.749 ' CE1' HD22 ' A' ' 60' ' ' LEU . 7.4 p90 -127.56 152.31 47.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 0.75 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' N ' HG23 ' A' ' 57' ' ' THR . 1.8 tt0 -67.16 110.42 3.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.818 ' O ' HD12 ' A' ' 68' ' ' ILE . 84.2 m-20 -76.53 -170.09 1.42 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 1.8 m-20 -156.09 -49.38 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG11 ' CE1' ' A' ' 92' ' ' PHE . 0.4 OUTLIER -64.8 -43.18 96.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.949 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.39 -43.09 73.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.818 HD12 ' O ' ' A' ' 64' ' ' ASP . 59.8 mt -61.01 -48.05 90.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -56.92 -42.56 80.19 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.534 1.146 . . . . 0.0 110.343 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.637 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 2.4 m-85 -56.88 -46.05 82.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.956 HD11 HD21 ' A' ' 89' ' ' LEU . 3.0 mt -70.85 -48.44 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.425 1.078 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.632 ' CB ' ' HZ3' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -59.89 -49.33 78.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 110.968 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.425 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 5.4 m-80 -63.01 -39.92 96.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.724 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -71.91 -39.07 69.76 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.342 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.595 ' CB ' HD23 ' A' ' 45' ' ' LEU . 43.6 mt -78.43 -5.52 52.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.7 OUTLIER -80.65 -0.47 38.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.3 m -109.6 -172.36 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.27 -20.06 17.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.586 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -141.01 91.12 9.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.45 ' HG2' ' CG2' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.0 151.24 39.28 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.445 1.76 . . . . 0.0 111.023 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -95.25 91.21 6.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.432 1.083 . . . . 0.0 109.26 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.646 ' HB2' ' CZ2' ' A' ' 106' ' ' TRP . 12.5 t -50.12 -34.49 22.26 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.485 1.116 . . . . 0.0 109.976 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.568 ' HG2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -57.99 -49.26 77.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.37 1.044 . . . . 0.0 109.308 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.628 ' HE2' ' HA ' ' A' ' 84' ' ' MET . 0.1 OUTLIER -65.58 -33.12 75.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.47 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 2.1 tpp -62.58 -52.89 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 99' ' ' ARG . 0.0 OUTLIER -68.34 -33.58 74.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 110.277 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.674 ' HA ' HD21 ' A' ' 28' ' ' LEU . 5.3 mt -68.22 -41.61 84.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.637 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 59.6 m-20 -74.17 -43.98 55.27 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.482 1.114 . . . . 0.0 109.248 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.956 HD21 HD11 ' A' ' 71' ' ' ILE . 11.3 mt -57.89 -45.92 85.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.828 HG21 ' HG ' ' A' ' 28' ' ' LEU . 94.3 m -58.62 -22.44 56.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.41 1.069 . . . . 0.0 110.331 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.458 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -69.19 -26.69 74.43 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -112.98 -42.68 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 0.761 . . . . 0.0 111.039 -179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.879 HD22 HG21 ' A' ' 59' ' ' ILE . 6.0 mt -67.82 -167.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -93.32 -11.46 32.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.786 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.93 -54.8 0.53 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.512 1.132 . . . . 0.0 111.065 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -37.56 83.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.269 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -67.26 -30.74 70.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 109.333 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.13 89.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.333 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.479 ' CG ' ' OE1' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -71.08 -40.08 71.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 110.267 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.3 -36.58 63.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.878 ' CE1' HD11 ' A' ' 89' ' ' LEU . 10.0 t80 -61.19 -50.43 73.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.522 ' CE ' ' OG ' ' A' ' 82' ' ' SER . 88.9 mmm -65.96 -34.3 77.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.06 11.57 15.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.47 1.107 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.571 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.2 mt-10 -127.29 -31.34 2.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 0.767 . . . . 0.0 110.299 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.967 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.0 -36.12 10.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.274 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.919 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -60.02 -42.78 92.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 108.064 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.826 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.3 Cg_endo -74.96 -28.03 9.59 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.441 1.758 . . . . 0.0 111.032 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 104' ' ' GLU . 0.0 OUTLIER -58.81 -42.32 88.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 ' CD2' HG13 ' A' ' 48' ' ' ILE . 9.6 mt -71.53 -34.1 69.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.89 -42.93 69.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.9 t -79.0 -33.14 45.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.047 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -62.61 -46.83 86.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 5.4 pt20 -62.26 -12.44 20.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -92.59 -10.87 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 0.0 110.264 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.7 -164.72 1.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.51 -43.63 4.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.61 2.2 49.13 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.521 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.75 38.84 77.09 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.521 HD12 ' C ' ' A' ' 118' ' ' GLY . 1.6 mp -115.85 135.23 22.68 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 109.365 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 123' ' ' PHE . 18.2 Cg_endo -74.96 147.15 33.71 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.463 1.77 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 27.5 p -59.46 -16.25 22.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.948 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.34 -28.24 66.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.587 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 3.3 m-30 -101.47 -38.78 7.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.494 HD21 ' CG2' ' A' ' 119' ' ' ILE . 62.3 mt -51.74 -68.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -49.56 -66.64 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD12 ' O ' ' A' ' 122' ' ' ALA . 14.3 mt -48.3 171.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -62.91 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 44.22 83.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.132 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.6 112.57 1.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 110.303 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.52 81.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 5.8 mm -116.35 95.28 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -79.74 75.5 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -177.16 136.8 0.21 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 1.084 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 3.6 mtp180 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.469 1.106 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.466 ' C ' ' SD ' ' A' ' 26' ' ' MET . 10.1 m-70 -126.52 43.41 3.1 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.668 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.55 ' O ' ' CB ' ' A' ' 27' ' ' GLN . 2.5 mpt? -152.69 -108.5 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.677 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.4 OUTLIER 89.87 105.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.769 ' HG ' HG21 ' A' ' 90' ' ' THR . 0.0 OUTLIER -167.27 -171.25 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 28' ' ' LEU . 29.8 ttmt -88.74 152.29 21.88 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' CD1' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -114.83 -168.38 1.37 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.747 ' HB2' ' HG2' ' A' ' 99' ' ' ARG . . . -91.44 -164.95 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 33' ' ' CYS . 11.0 pt-20 -108.24 -48.98 3.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.367 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.421 ' N ' ' CG ' ' A' ' 32' ' ' GLU . 61.6 m -49.96 -23.97 2.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.407 1.067 . . . . 0.0 108.336 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.747 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 3.1 mt -59.49 -15.58 18.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.12 16.47 11.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.319 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -84.14 -9.47 58.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.07 . . . . 0.0 109.337 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.1 OUTLIER 54.31 171.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' CD1' ' A' ' 110' ' ' LEU . 12.3 m -152.51 -159.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.383 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 1.5 t0 -171.84 92.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.699 ' HE1' HD13 ' A' ' 109' ' ' LEU . 17.2 mmt -60.69 -24.7 65.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.1 t -73.92 -7.67 53.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.428 1.08 . . . . 0.0 110.021 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -116.27 -37.76 3.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 39' ' ' ASP . 0.2 OUTLIER -109.45 151.47 11.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.417 1.073 . . . . 0.0 109.338 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -90.78 125.89 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.69 -17.2 27.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.569 1.168 . . . . 0.0 109.375 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.043 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -63.02 -38.5 91.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.836 HG23 ' CD1' ' A' ' 48' ' ' ILE . 6.4 m -70.59 -4.47 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.836 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -116.16 3.77 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.19 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' HD3' HD21 ' A' ' 45' ' ' LEU . 7.2 mmmm -68.63 -46.84 35.02 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.598 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.5 Cg_endo -74.95 -28.7 9.04 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.477 1.777 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 64.6 t90 -71.87 -47.52 52.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 107.988 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.777 HD12 ' O ' ' A' ' 48' ' ' ILE . 0.8 OUTLIER -61.97 -50.92 78.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.262 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.524 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 1.9 m -61.42 -37.54 83.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.405 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -72.43 -34.88 68.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.597 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 12.8 mmt180 -72.62 -50.23 26.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.24 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.773 HG22 ' O ' ' A' ' 52' ' ' ILE . 25.6 m -62.23 -42.08 93.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.605 ' O ' ' N ' ' A' ' 61' ' ' GLY . 49.8 m -65.54 -42.28 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.405 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -73.25 -28.97 62.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.832 HG21 HD22 ' A' ' 93' ' ' LEU . 8.7 mt -56.98 -47.16 83.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.572 ' HB2' ' CE2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -100.83 -46.91 4.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.28 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.605 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.3 -8.84 7.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.53 1.144 . . . . 0.0 110.948 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 9.7 p90 -130.06 153.54 48.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 0.794 . . . . 0.0 110.999 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.9 tt0 -71.89 111.21 6.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.321 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.551 ' C ' HD12 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -73.99 -151.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -168.45 -52.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.73 -42.74 95.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.972 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -72.64 -41.54 62.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.25 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.724 HG12 HG21 ' A' ' 56' ' ' VAL . 64.3 mt -61.23 -48.01 90.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.17 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.2 OUTLIER -61.97 -38.99 90.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.602 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 0.6 OUTLIER -56.44 -45.17 80.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.936 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.0 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -70.15 -48.55 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.399 1.062 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.591 ' CE1' ' HD2' ' A' ' 49' ' ' LYS . 10.2 m-30 -60.85 -48.95 79.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 69' ' ' GLU . 4.3 m-80 -60.23 -40.27 89.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.256 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.767 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -72.93 -38.4 66.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.475 ' CB ' HD23 ' A' ' 45' ' ' LEU . 34.9 mt -79.04 -8.48 58.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.75 -3.36 37.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.7 m -104.12 -175.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.52 -19.63 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.475 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -140.1 88.49 11.66 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 154.73 42.66 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.512 1.796 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' MET . 13.4 t0 -105.87 83.52 1.93 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.562 1.164 . . . . 0.0 109.337 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.597 ' HB3' ' CE3' ' A' ' 106' ' ' TRP . 2.9 p -40.16 -28.81 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 30' ' ' PHE . 69.5 mmtt -59.79 -51.38 70.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.557 ' HE1' HG21 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -64.91 -37.56 88.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 110.997 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.5 ttm -60.4 -50.76 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.519 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -67.71 -34.4 76.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.557 HG21 ' HE1' ' A' ' 84' ' ' MET . 4.4 mt -67.42 -41.52 86.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.602 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 23.1 m120 -69.62 -44.42 70.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.0 HD21 HD11 ' A' ' 71' ' ' ILE . 13.1 mt -58.17 -44.27 87.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.769 HG21 ' HG ' ' A' ' 28' ' ' LEU . 60.0 m -58.65 -22.46 56.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.417 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.527 ' HA3' ' CG ' ' A' ' 26' ' ' MET . . . -70.96 -18.82 76.59 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.56 1.162 . . . . 0.0 111.076 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.426 ' CG ' ' CG1' ' A' ' 67' ' ' VAL . 0.3 OUTLIER -120.54 -47.54 2.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 111.041 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.832 HD22 HG21 ' A' ' 59' ' ' ILE . 7.1 mt -64.19 -165.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -94.32 -11.94 29.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.731 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 109.79 -48.95 0.89 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.477 1.111 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -71.2 -37.57 72.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 0.791 . . . . 0.0 109.341 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -67.13 -32.1 72.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.207 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' CB ' ' OE1' ' A' ' 86' ' ' GLN . . . -63.19 -40.41 97.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.747 ' HG2' ' HB2' ' A' ' 31' ' ' ALA . 0.1 OUTLIER -68.98 -40.41 78.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -73.2 -36.66 66.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.797 ' CE1' HD11 ' A' ' 89' ' ' LEU . 13.3 t80 -62.51 -48.46 79.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.554 ' CE ' ' CB ' ' A' ' 82' ' ' SER . 87.2 mmm -65.87 -34.17 77.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -77.34 12.91 12.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.1 mm-40 -128.2 -30.9 2.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 0.728 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.949 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -97.06 -35.83 10.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.943 ' N ' HD13 ' A' ' 105' ' ' LEU . 25.6 t-105 -61.47 -43.14 88.05 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.513 1.133 . . . . 0.0 108.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.788 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.6 Cg_endo -74.96 -27.68 9.88 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.549 1.815 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.579 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -58.15 -42.85 86.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.699 HD13 ' HE1' ' A' ' 40' ' ' MET . 10.1 mt -72.77 -32.91 65.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 0.0 109.234 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.34 -43.08 67.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.55 -35.19 46.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.452 ' HB3' ' CG2' ' A' ' 43' ' ' VAL . . . -62.16 -46.91 86.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.424 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.74 -15.57 42.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.14 -11.72 34.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.46 -158.6 0.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -116.64 -42.38 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 109.252 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 119' ' ' ILE . . . -91.1 10.89 24.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.445 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 61.4 40.1 98.19 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.458 1.099 . . . . 0.0 110.967 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.697 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -122.58 133.82 24.62 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.561 0.801 . . . . 0.0 109.264 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.579 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.2 Cg_endo -74.96 153.86 42.3 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.581 1.832 . . . . 0.0 111.016 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.401 ' HA ' ' HB2' ' A' ' 124' ' ' LEU . 52.1 p -64.47 -13.66 53.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -57.82 -28.89 64.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CD2' ' HG2' ' A' ' 120' ' ' PRO . 92.5 m-85 -105.07 -42.68 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.526 HD21 HG22 ' A' ' 119' ' ' ILE . 74.2 mt -43.19 -64.96 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -68.74 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 mt -57.64 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -139.07 69.93 1.37 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -53.03 115.03 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.429 ' HG3' HD11 ' A' ' 131' ' ' ILE . 0.2 OUTLIER -69.0 94.67 0.66 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.14 . . . . 0.0 110.297 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -124.41 90.51 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.359 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 131' ' ' ILE . 4.7 mp -93.22 69.1 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.12 166.05 9.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.587 1.179 . . . . 0.0 109.26 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -154.69 150.54 27.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 11.9 mtt85 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.303 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' HB3' ' CE ' ' A' ' 26' ' ' MET . 48.2 m80 49.18 -123.74 1.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.564 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.542 ' CE ' ' HB3' ' A' ' 25' ' ' HIS . 0.2 OUTLIER -124.43 165.8 17.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.048 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.761 ' C ' HD13 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -139.49 143.99 37.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.309 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD13 ' N ' ' A' ' 28' ' ' LEU . 0.0 OUTLIER -160.81 -172.22 3.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -85.85 156.24 20.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -119.33 -171.16 2.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 111.069 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.876 ' HB3' ' HG ' ' A' ' 34' ' ' LEU . . . -85.37 -166.02 1.39 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.105 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 33' ' ' CYS . 9.4 pt-20 -110.74 -35.55 5.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 73.8 m -65.79 -13.6 59.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 108.336 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.876 ' HG ' ' HB3' ' A' ' 31' ' ' ALA . 6.9 mt -72.38 -5.16 34.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.26 25.92 7.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.46 ' CB ' HD21 ' A' ' 110' ' ' LEU . 0.0 OUTLIER -95.9 -6.4 39.29 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.514 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 53.53 173.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.403 1.064 . . . . 0.0 109.333 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.47 HG12 ' CD1' ' A' ' 110' ' ' LEU . 8.8 m -153.11 -160.77 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.307 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.465 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 11.0 t0 -173.67 95.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.218 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 40' ' ' MET . 14.5 mmt -63.32 -24.08 67.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.972 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.86 -7.16 46.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.589 1.18 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -117.57 -38.72 3.25 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.418 1.074 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -109.3 152.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -88.82 130.05 35.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.891 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -92.9 -26.86 17.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.363 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.891 ' N ' HD13 ' A' ' 45' ' ' LEU . 2.4 mt-10 -57.6 -37.85 73.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 110.315 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.78 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.0 m -68.89 -7.5 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.78 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -111.21 -6.79 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.28 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.649 ' HD3' HD21 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.56 -48.15 97.44 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.3 Cg_endo -75.01 -27.67 9.8 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.469 1.773 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.6 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 39.1 t90 -74.03 -41.59 61.6 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.944 ' O ' HG22 ' A' ' 56' ' ' VAL . 1.2 mt -73.94 -51.55 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.454 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 88.1 m -58.06 -38.33 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' CB ' ' O ' ' A' ' 50' ' ' PRO . 17.3 tttt -74.31 -37.83 63.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.484 ' HG3' ' CZ3' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -67.65 -50.61 57.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.944 HG22 ' O ' ' A' ' 52' ' ' ILE . 12.8 m -62.76 -37.35 78.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.574 ' O ' ' N ' ' A' ' 61' ' ' GLY . 30.0 m -69.24 -42.14 76.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.118 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -72.95 -28.56 62.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 56' ' ' VAL . 11.8 mt -56.75 -47.18 83.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 109.249 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' OD2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -100.85 -46.4 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 127.41 -9.64 6.92 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.036 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.573 ' CE2' ' HB2' ' A' ' 60' ' ' LEU . 10.6 p90 -130.27 153.92 48.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.763 . . . . 0.0 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 107.9 5.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.729 ' OD2' HD21 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -69.1 -150.4 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.598 1.186 . . . . 0.0 109.285 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.3 OUTLIER -169.58 -45.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -71.17 -44.14 74.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.962 ' O ' HD12 ' A' ' 71' ' ' ILE . 0.9 OUTLIER -70.18 -42.29 79.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.69 HG12 HG21 ' A' ' 56' ' ' VAL . 51.2 mt -61.82 -49.12 85.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.363 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 2.1 mt-10 -56.27 -41.6 76.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CD2' ' HB3' ' A' ' 88' ' ' ASN . 3.0 m-85 -57.04 -47.11 81.72 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.059 HD11 HD21 ' A' ' 89' ' ' LEU . 2.9 mt -71.96 -43.85 67.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.551 ' CG ' ' HE2' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -63.57 -48.36 77.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 111.041 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.411 ' O ' ' HB2' ' A' ' 76' ' ' GLU . 4.6 m-80 -64.3 -39.24 93.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.699 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.7 OUTLIER -73.5 -38.39 65.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 71' ' ' ILE . 13.5 mt -78.17 -2.91 39.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASN . 0.6 OUTLIER -84.29 -7.21 59.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.699 HG22 ' O ' ' A' ' 74' ' ' GLN . 3.1 m -100.47 -167.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.39 -18.8 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.093 . . . . 0.0 109.261 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.611 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.3 OUTLIER -141.48 88.07 10.03 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' HD2' ' CG2' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.05 155.45 42.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.444 1.76 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -101.37 88.0 3.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.403 1.065 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 22.2 p -45.83 -33.19 2.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.115 . . . . 0.0 110.011 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.589 ' O ' HD12 ' A' ' 87' ' ' ILE . 69.6 mmtt -58.54 -44.62 89.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.512 ' CE ' ' CG2' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -68.88 -36.2 77.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.473 ' CE ' ' HB3' ' A' ' 74' ' ' GLN . 1.3 tpp -60.67 -53.66 54.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.459 ' NE2' ' HA ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -65.86 -34.06 77.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.238 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.615 ' HA ' HD21 ' A' ' 28' ' ' LEU . 10.8 mt -66.46 -41.89 89.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 70' ' ' PHE . 22.3 m120 -73.39 -44.79 57.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 71' ' ' ILE . 13.7 mt -58.38 -46.67 85.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.754 HG23 ' HA2' ' A' ' 95' ' ' GLY . 90.0 m -59.33 -22.42 61.24 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.487 1.117 . . . . 0.0 110.389 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.456 ' HA3' ' SD ' ' A' ' 26' ' ' MET . . . -72.51 -25.88 73.13 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.529 ' CD2' ' CG1' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -112.67 -40.0 4.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 0.789 . . . . 0.0 110.981 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 59' ' ' ILE . 5.4 mt -71.64 -164.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.093 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -94.08 -14.87 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.308 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.754 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 111.11 -44.27 1.54 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 73.7 mttt -74.95 -40.12 60.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -30.56 71.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.08 -41.84 97.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HG2' ' OE1' ' A' ' 86' ' ' GLN . 4.9 mtm105 -67.31 -40.89 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -72.7 -38.41 67.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.322 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.817 ' CE1' HD11 ' A' ' 89' ' ' LEU . 25.5 t80 -61.25 -49.96 74.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.569 ' HE1' ' HA ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -67.42 -32.08 72.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.93 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 107' ' ' PRO . . . -80.15 12.93 28.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.561 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.5 mt-10 -129.04 -30.15 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.961 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -96.41 -38.03 10.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.912 ' N ' HD13 ' A' ' 105' ' ' LEU . 29.7 t-105 -60.1 -43.35 93.8 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 107.949 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.777 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.4 Cg_endo -74.99 -27.47 10.0 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 111.007 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.807 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.57 -43.27 89.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.281 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD21 HG13 ' A' ' 48' ' ' ILE . 4.5 mt -72.02 -32.94 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.777 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.1 OUTLIER -53.68 -45.25 70.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 1.101 . . . . 0.0 109.237 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -32.55 45.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.65 -46.97 80.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.494 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 4.1 pt20 -61.1 -15.9 38.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.329 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.06 -9.03 50.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.441 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -87.65 -163.2 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -112.01 -43.45 4.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.58 0.76 51.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . 0.409 ' C ' HD12 ' A' ' 119' ' ' ILE . . . 69.66 39.83 77.43 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.422 1.076 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.616 ' CG1' HG11 ' A' ' 47' ' ' VAL . 1.3 mp -121.39 140.62 31.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.757 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.807 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.5 Cg_endo -74.99 152.99 41.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.465 1.771 . . . . 0.0 110.993 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.43 ' HA ' HD12 ' A' ' 124' ' ' LEU . 83.2 p -62.08 -17.07 56.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 109.999 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.481 ' O ' HD12 ' A' ' 126' ' ' LEU . . . -59.77 -29.2 68.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 109.258 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.574 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 9.6 m-30 -98.71 -37.03 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.413 1.07 . . . . 0.0 111.016 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.441 HD11 ' ND2' ' A' ' 115' ' ' ASN . 49.0 mt -54.62 -68.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -50.34 -58.21 6.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 122' ' ' ALA . 13.5 mt -59.23 -172.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -91.25 -179.18 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.68 118.68 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -137.09 133.97 35.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.44 77.15 1.02 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 41.7 mm -64.58 141.4 18.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.102 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.3 tttt -75.2 156.01 36.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.0 mt-30 -129.44 124.37 33.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.46 1.1 . . . . 0.0 110.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 13.3 ptt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.227 -179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.546 ' O ' ' HE3' ' A' ' 26' ' ' MET . 2.1 p-80 -100.17 41.39 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.618 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.546 ' HE3' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -126.67 -169.96 2.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.085 . . . . 0.0 110.986 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.779 ' C ' HD13 ' A' ' 28' ' ' LEU . 23.4 mm-40 83.87 110.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.585 1.178 . . . . 0.0 110.281 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.779 HD13 ' C ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -176.55 -166.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.279 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -104.27 148.99 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.395 1.059 . . . . 0.0 109.317 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.42 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 0.1 OUTLIER -121.96 153.94 37.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 110.941 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.19 -176.09 0.39 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -102.09 -31.12 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.1 t -61.76 -17.76 57.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.244 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.9 mt -65.15 -11.79 44.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -94.46 15.95 16.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.415 ' CB ' HD21 ' A' ' 110' ' ' LEU . 8.0 mmtt -85.35 -9.23 57.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' O ' HD11 ' A' ' 110' ' ' LEU . 0.0 OUTLIER 54.56 173.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG12 ' CD1' ' A' ' 110' ' ' LEU . 18.7 m -154.34 -160.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' O ' ' CG1' ' A' ' 43' ' ' VAL . 4.1 t0 -172.88 93.35 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.508 ' HE3' HD13 ' A' ' 109' ' ' LEU . 19.1 mmt -60.95 -24.85 66.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -73.27 -7.29 50.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 0.0 110.046 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 39' ' ' ASP . 6.5 mmtt -116.49 -37.05 3.8 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 113' ' ' GLN . 0.2 OUTLIER -110.74 151.06 13.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -89.56 126.06 35.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.014 HD13 ' N ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -90.8 -25.45 19.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 1.014 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.21 -38.28 76.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.485 1.115 . . . . 0.0 110.372 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.723 HG23 ' CD1' ' A' ' 48' ' ' ILE . 18.8 m -69.01 -8.0 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.723 ' CD1' HG23 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -107.15 -6.6 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.356 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 50' ' ' PRO . 6.1 mmmm -59.58 -45.31 98.7 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 49' ' ' LYS . 18.1 Cg_endo -75.02 -28.6 8.99 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.466 1.772 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CZ3' ' HB2' ' A' ' 105' ' ' LEU . 53.4 t90 -74.06 -48.37 30.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.751 ' O ' HG22 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -64.14 -51.42 69.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 56' ' ' VAL . 83.2 m -57.08 -39.0 74.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.71 -37.4 67.8 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.59 ' HG3' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -70.78 -50.6 34.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.751 HG22 ' O ' ' A' ' 52' ' ' ILE . 27.5 m -61.05 -41.88 90.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.602 ' O ' ' N ' ' A' ' 61' ' ' GLY . 32.0 m -67.51 -39.94 85.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.542 1.151 . . . . 0.0 110.402 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -73.75 -29.27 62.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.112 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.024 HG21 HD22 ' A' ' 93' ' ' LEU . 13.1 mt -56.76 -48.28 81.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD22 ' CE1' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -99.65 -46.14 5.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.248 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.602 ' N ' ' O ' ' A' ' 57' ' ' THR . . . 126.34 -9.26 7.39 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.613 ' CE1' HD22 ' A' ' 60' ' ' LEU . 9.3 p90 -129.82 155.18 46.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.423 0.719 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.72 111.01 8.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 110.257 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' CD1' ' A' ' 60' ' ' LEU . 2.5 m-20 -80.78 -153.41 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -166.01 -43.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 109.297 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.657 HG11 ' CE1' ' A' ' 92' ' ' PHE . 1.2 p -64.38 -44.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.811 ' O ' HD12 ' A' ' 71' ' ' ILE . 1.0 OUTLIER -71.95 -41.99 68.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.693 ' CG2' ' CZ ' ' A' ' 72' ' ' PHE . 47.5 mt -61.53 -47.6 92.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 65' ' ' ASP . 0.5 OUTLIER -59.48 -43.26 93.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.646 ' CD1' ' ND2' ' A' ' 88' ' ' ASN . 3.2 m-85 -57.46 -44.84 85.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 1.056 HD11 HD21 ' A' ' 89' ' ' LEU . 3.6 mt -70.77 -46.25 69.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.605 1.191 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.693 ' CZ ' ' CG2' ' A' ' 68' ' ' ILE . 6.9 m-30 -63.75 -49.6 72.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.987 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.81 -40.84 94.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.747 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -73.45 -38.59 65.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.7 mt -79.69 -3.02 45.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.34 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 72' ' ' PHE . 1.0 OUTLIER -83.62 -3.06 57.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.747 HG22 ' O ' ' A' ' 74' ' ' GLN . 4.3 m -103.55 -172.79 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.93 -17.34 16.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.503 ' H ' HG23 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -142.92 87.45 8.84 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.604 1.19 . . . . 0.0 109.256 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.416 ' HB3' ' O ' ' A' ' 74' ' ' GLN . 18.2 Cg_endo -75.01 150.99 38.92 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.48 1.779 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 84' ' ' MET . 23.6 t0 -99.54 84.32 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 106' ' ' TRP . 13.5 p -41.28 -28.41 0.1 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.864 ' O ' HD12 ' A' ' 87' ' ' ILE . 29.0 mmtp -60.84 -49.22 78.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 81' ' ' ASP . 7.3 mmm -71.43 -31.67 67.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.387 1.055 . . . . 0.0 110.963 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -59.65 -52.25 66.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.594 HE21 HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -70.07 -34.55 73.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.279 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.864 HD12 ' O ' ' A' ' 83' ' ' LYS . 4.6 mt -66.66 -39.34 83.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 70' ' ' PHE . 35.6 m-20 -74.74 -36.75 62.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.056 HD21 HD11 ' A' ' 71' ' ' ILE . 19.6 mt -66.75 -45.28 79.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.984 HG23 ' HA2' ' A' ' 95' ' ' GLY . 73.0 m -58.03 -23.48 54.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.45 ' CA ' ' O ' ' A' ' 25' ' ' HIS . . . -67.32 -17.76 68.71 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.657 ' CE1' HG11 ' A' ' 66' ' ' VAL . 0.1 OUTLIER -119.75 -49.71 2.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 0.741 . . . . 0.0 110.984 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.024 HD22 HG21 ' A' ' 59' ' ' ILE . 9.5 mt -59.59 -166.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -92.56 -14.17 28.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.984 ' HA2' HG23 ' A' ' 90' ' ' THR . . . 115.33 -47.2 1.06 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -31.36 58.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.498 ' HB3' HD13 ' A' ' 93' ' ' LEU . 0.6 OUTLIER -68.96 -33.93 74.5 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.53 1.144 . . . . 0.0 109.314 179.904 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.48 ' HB1' ' HG2' ' A' ' 86' ' ' GLN . . . -64.73 -40.08 94.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 12.2 mtp180 -68.85 -41.31 78.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -35.86 62.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.766 ' CE2' HD11 ' A' ' 89' ' ' LEU . 60.5 t80 -60.66 -50.23 74.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.515 ' O ' ' CB ' ' A' ' 106' ' ' TRP . 75.8 mmm -64.12 -26.72 68.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.966 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.68 20.4 19.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.487 1.117 . . . . 0.0 110.996 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.596 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 1.8 mm-40 -138.03 -33.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 0.771 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.998 ' O ' HD22 ' A' ' 105' ' ' LEU . 0.0 OUTLIER -95.52 -36.26 11.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TRP . . . . . 0.871 ' N ' HD13 ' A' ' 105' ' ' LEU . 40.8 t-105 -61.51 -42.82 86.41 Favored Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.76 ' HA ' HD22 ' A' ' 110' ' ' LEU . 18.0 Cg_endo -75.1 -27.88 9.48 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.539 1.81 . . . . 0.0 110.976 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.595 HD23 ' HG3' ' A' ' 120' ' ' PRO . 0.1 OUTLIER -58.49 -42.79 88.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.508 HD13 ' HE3' ' A' ' 40' ' ' MET . 6.9 mt -71.88 -33.19 68.17 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.55 1.156 . . . . 0.0 109.362 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.76 HD22 ' HA ' ' A' ' 107' ' ' PRO . 0.0 OUTLIER -53.97 -44.74 71.01 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 25.8 t -78.2 -33.04 50.21 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 110.034 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.492 ' HB3' ' HA ' ' A' ' 109' ' ' LEU . . . -64.91 -46.57 81.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.223 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.482 ' HB3' ' CG1' ' A' ' 43' ' ' VAL . 3.6 pt20 -61.69 -14.93 35.87 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.614 1.196 . . . . 0.0 110.276 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -90.45 -8.87 49.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.436 ' ND2' HD11 ' A' ' 124' ' ' LEU . 0.2 OUTLIER -89.86 -165.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.33 -43.98 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.5 2.07 46.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 109.366 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 68.28 39.51 87.87 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.517 1.136 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.541 HD11 HG11 ' A' ' 47' ' ' VAL . 1.3 mp -117.35 138.21 24.79 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.533 0.784 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.595 ' HG3' HD23 ' A' ' 108' ' ' LEU . 18.4 Cg_endo -74.93 148.24 35.34 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.419 ' HA ' HD12 ' A' ' 124' ' ' LEU . 91.2 p -59.42 -17.55 31.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.88 68.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.564 ' CD2' ' HD2' ' A' ' 120' ' ' PRO . 6.1 m-30 -98.55 -38.66 9.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.974 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.436 HD11 ' ND2' ' A' ' 115' ' ' ASN . 46.8 mt -52.7 -68.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -43.35 -48.81 6.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 mt -44.4 -86.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.221 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -153.09 64.41 0.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -150.8 60.9 0.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -61.55 164.87 5.4 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.432 1.083 . . . . 0.0 110.316 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' O ' ' C ' ' A' ' 131' ' ' ILE . 0.0 OUTLIER -179.67 66.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 131' ' ' ILE . 15.0 mm 36.4 78.57 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.327 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.85 130.21 41.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.481 ' OE1' HG22 ' A' ' 131' ' ' ILE . 0.0 OUTLIER -148.46 156.64 42.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.584 1.178 . . . . 0.0 110.303 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . . . . . . . . . 21.4 ptt180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 110.239 -179.947 . . . . . . . . 0 0 . 1 stop_ save_